 Entering Gaussian System, Link 0=g16
 Input=/home/dell/xyc/xyc/new/4-2-I3.gjf
 Output=/home/dell/xyc/xyc/new/4-2-I3.log
 Initial command:
 /home/dell/gs16/g16/l1.exe "/home/dell/gs16/g16/scratch/Gau-18161.inp" -scrdir="/home/dell/gs16/g16/scratch/"
 Entering Link 1 = /home/dell/gs16/g16/l1.exe PID=     18163.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
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 Rights clause in FAR 52.227-19.
  
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 Warning -- This program may not be used in any manner that
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 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                10-Jan-2025 
 ******************************************
 %nprocshared=48
 Will use up to   48 processors via shared memory.
 %mem=128GB
 %chk=4-2-I3.chk
 ---------------------------------
 # td b3lyp/dgdzvp density=current
 ---------------------------------
 1/30=1,38=1,172=1/1;
 2/12=2,17=6,18=5,40=1/2;
 3/5=27,6=1,11=9,25=1,30=1,71=1,74=-5/1,2,3,8;
 4//1;
 5/5=2,38=5/2;
 8/6=1,10=1/1;
 9/15=1,42=1,70=2/14;
 10/5=4,13=10/2;
 6/7=2,8=2,9=2,10=2,22=-1/1;
 99/5=1,9=1/99;
 ---------
 structure
 ---------
 Symbolic Z-matrix:
 Charge =  3 Multiplicity = 1
 N                    -3.80666   2.78866  -0.22031 
 C                    -2.49687   2.53392   0.52211 
 C                    -1.33679   2.07418  -0.36828 
 N                     0.04416   2.33737   0.19852 
 H                    -2.72358   1.74448   1.24237 
 H                    -2.29004   3.45146   1.10215 
 H                    -1.35153   2.54247  -1.3582 
 H                    -1.38116   0.99007  -0.53152 
 C                     0.34813   3.82209   0.33971 
 C                     0.55926   4.52064  -1.00737 
 N                     0.58866   6.03806  -0.94451 
 H                     1.27134   3.87198   0.92608 
 H                    -0.44873   4.27561   0.95092 
 H                    -0.21816   4.2587   -1.73406 
 H                     1.51881   4.21788  -1.43469 
 C                    -0.79655   6.58572  -0.61477 
 C                    -1.83565   6.42696  -1.73006 
 N                    -3.27349   6.54487  -1.2377 
 H                    -0.65455   7.64736  -0.38605 
 H                    -1.10974   6.1135    0.32864 
 H                    -1.76625   5.47129  -2.26325 
 H                    -1.70379   7.21827  -2.47373 
 C                    -3.69387   5.35101  -0.40151 
 C                    -3.70087   4.01051  -1.13634 
 H                    -4.70612   5.60068  -0.06888 
 H                    -3.05928   5.34694   0.50366 
 H                    -2.79716   3.85096  -1.73633 
 H                    -4.55542   3.96047  -1.81539 
 C                     1.53389   6.55236   0.17219 
 C                    -3.42101   7.76964  -0.29377 
 C                     3.02239   6.25544   0.02206 
 C                     1.09566   6.51828  -2.32918 
 C                    -4.1534    6.71975  -2.49175 
 C                     0.25328   1.65653   1.5928 
 C                     1.08973   1.62088  -0.71088 
 C                    -4.9104    3.01974   0.84817 
 C                    -4.13663   1.57509  -1.12341 
 C                    -4.94284   2.09339   2.06918 
 C                    -5.02018   0.57205   1.91172 
 C                    -5.48795   1.57118  -1.85579 
 C                    -6.65961   0.86635  -1.16514 
 C                    -3.06263   9.12679  -0.89818 
 C                    -4.25209   9.9495   -1.40665 
 C                    -5.66172   6.85587  -2.28 
 C                    -6.49117   5.57202  -2.16685 
 C                     3.5477    4.87296   0.41807 
 C                     1.43194   7.99802  -2.49721 
 C                     0.28423   8.99772  -2.64778 
 C                    -0.30399   2.32319   2.83574 
 C                     0.21578   1.55379   4.06178 
 C                     0.8841    1.58556  -2.22131 
 C                     2.10556   0.8839   -2.83988 
 H                     1.11377   6.17941   1.11639 
 H                     1.3746    7.63989   0.17717 
 H                    -2.79889   7.53326   0.58186 
 H                    -4.46559   7.75139   0.0411 
 H                     3.4892    6.99298   0.69584 
 H                     3.38011   6.53733  -0.97946 
 H                     0.3392    6.19037  -3.05876 
 H                     2.00351   5.92734  -2.50555 
 H                    -3.91919   5.87314  -3.15511 
 H                    -3.76414   7.63377  -2.95528 
 H                     1.34736   1.58382   1.68129 
 H                    -0.14192   0.63868   1.4613 
 H                     1.1105    0.58421  -0.34825 
 H                     2.04926   2.08282  -0.43949 
 H                    -5.84691   3.00839   0.28018 
 H                    -4.7267    4.02332   1.24945 
 H                    -4.0442    0.69601  -0.47538 
 H                    -3.32241   1.56014  -1.86134 
 H                    -5.84923   2.43461   2.5975 
 H                    -4.11659   2.3748    2.7419 
 H                    -4.08804   0.12145   1.53395 
 H                    -5.84256   0.25909   1.25871 
 H                    -5.1979    0.12603   2.90003 
 H                    -5.29204   1.04307  -2.80338 
 H                    -5.78544   2.5878   -2.15907 
 H                    -6.38927  -0.16235  -0.88797 
 H                    -7.50387   0.80141  -1.86563 
 H                    -7.02002   1.38088  -0.2652 
 H                    -2.30612   9.02377  -1.69057 
 H                    -2.55321   9.68116  -0.09193 
 H                    -5.00472   10.0735  -0.61409 
 H                    -4.74395   9.49918  -2.28135 
 H                    -3.91778   10.9545  -1.6997 
 H                    -6.00598   7.39553  -3.17681 
 H                    -5.8799    7.54254  -1.45081 
 H                    -6.26039   4.87549  -2.98883 
 H                    -7.55785   5.82208  -2.25214 
 H                    -6.37112   5.04973  -1.20558 
 H                     3.24136   4.0677   -0.26854 
 H                     3.24748   4.60952   1.44469 
 H                     4.64615   4.88602   0.40593 
 H                     2.02977   8.0134   -3.42381 
 H                     2.12259   8.32877  -1.70818 
 H                     0.68808   9.95388  -3.01032 
 H                    -0.21008   9.22118  -1.69282 
 H                    -0.45085   8.66435  -3.39976 
 H                    -1.40124   2.33385   2.85058 
 H                     0.01318   3.37307   2.91134 
 H                     1.31269   1.60512   4.12638 
 H                    -0.08081   0.49442   4.04128 
 H                    -0.19626   2.00457   4.97467 
 H                     0.77935   2.58389  -2.6684 
 H                    -0.02124   1.01114  -2.47229 
 H                     1.9763    0.79207  -3.92653 
 H                     2.23704  -0.12743  -2.42871 
 H                     3.03105   1.45093  -2.65482 
 I                     0.59801   10.3403   1.25086 
 I                    -0.81059   8.23126   2.56825 
 I                    -2.34011   5.39247   3.02451 
 
 Stoichiometry    C32H72I3N4(3+)
 Framework group  C1[X(C32H72I3N4)]
 Deg. of freedom   327
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          7           0       -3.686106   -0.933237    0.146253
      2          6           0       -3.272604    0.433975   -0.393536
      3          6           0       -3.291998    1.562779    0.643460
      4          7           0       -2.403206    2.745604    0.314046
      5          1           0       -3.996119    0.663648   -1.179135
      6          1           0       -2.295160    0.285612   -0.887195
      7          1           0       -2.990175    1.226449    1.641078
      8          1           0       -4.302489    1.978578    0.743100
      9          6           0       -0.925037    2.383037    0.296945
     10          6           0       -0.360804    2.104510    1.693815
     11          7           0        1.020864    1.473621    1.712586
     12          1           0       -0.420482    3.253756   -0.134223
     13          1           0       -0.788142    1.547294   -0.408055
     14          1           0       -1.009491    1.439830    2.275599
     15          1           0       -0.272225    3.041125    2.250507
     16          6           0        0.959706    0.038827    1.197720
     17          6           0        0.248093   -0.950577    2.126968
     18          7           0       -0.202788   -2.224650    1.421879
     19          1           0        1.999039   -0.272334    1.047663
     20          1           0        0.509378    0.079127    0.194380
     21          1           0       -0.640587   -0.533794    2.615796
     22          1           0        0.930226   -1.268376    2.920884
     23          6           0       -1.358668   -1.976590    0.471279
     24          6           0       -2.648173   -1.483393    1.127705
     25          1           0       -1.528086   -2.948208   -0.002943
     26          1           0       -0.989359   -1.301376   -0.322290
     27          1           0       -2.474415   -0.679854    1.853149
     28          1           0       -3.134121   -2.303924    1.661045
     29          6           0        2.011771    2.223829    0.785082
     30          6           0        0.940718   -2.779898    0.529174
     31          6           0        2.362356    3.662271    1.151560
     32          6           0        1.510907    1.549860    3.181945
     33          6           0       -0.562842   -3.234884    2.529693
     34          6           0       -2.767159    3.396468   -1.062620
     35          6           0       -2.703991    3.882560    1.338960
     36          6           0       -3.827762   -1.890447   -1.069054
     37          6           0       -5.018346   -0.803485    0.924407
     38          6           0       -4.534634   -1.367971   -2.324996
     39          6           0       -5.950970   -0.789364   -2.258168
     40          6           0       -5.680563   -2.093224    1.434804
     41          6           0       -6.734053   -2.746125    0.534551
     42          6           0        2.243029   -3.127067    1.249637
     43          6           0        2.417114   -4.607905    1.606037
     44          6           0       -1.059217   -4.613209    2.091255
     45          6           0       -2.552110   -4.776493    1.785201
     46          6           0        1.390144    4.783073    0.773892
     47          6           0        2.963312    1.181369    3.474666
     48          6           0        3.354621   -0.297088    3.493474
     49          6           0       -2.265262    2.756228   -2.342493
     50          6           0       -2.595440    3.702606   -3.508968
     51          6           0       -2.994535    3.534608    2.794791
     52          6           0       -3.174106    4.856487    3.561154
     53          1           0        1.605085    2.125471   -0.230813
     54          1           0        2.920629    1.606183    0.809790
     55          1           0        1.092847   -2.017574   -0.248870
     56          1           0        0.517299   -3.662715    0.034237
     57          1           0        3.299615    3.835578    0.597154
     58          1           0        2.654226    3.738072    2.209636
     59          1           0        0.811607    0.932402    3.766553
     60          1           0        1.347246    2.596562    3.468541
     61          1           0       -1.298178   -2.734543    3.178222
     62          1           0        0.370848   -3.343653    3.093793
     63          1           0       -2.356300    4.413738   -0.982071
     64          1           0       -3.864039    3.474429   -1.045946
     65          1           0       -3.584534    4.398361    0.932495
     66          1           0       -1.849822    4.567599    1.244846
     67          1           0       -4.301306   -2.787704   -0.656164
     68          1           0       -2.803210   -2.118430   -1.385695
     69          1           0       -5.694554   -0.258803    0.255574
     70          1           0       -4.768559   -0.159472    1.779142
     71          1           0       -4.554595   -2.262014   -2.971048
     72          1           0       -3.853786   -0.674744   -2.844914
     73          1           0       -6.001143    0.193486   -1.762066
     74          1           0       -6.656255   -1.462973   -1.758668
     75          1           0       -6.314979   -0.634469   -3.283244
     76          1           0       -6.178557   -1.800412    2.373670
     77          1           0       -4.929176   -2.839730    1.738349
     78          1           0       -7.510802   -2.021639    0.251900
     79          1           0       -7.231422   -3.553520    1.089903
     80          1           0       -6.323725   -3.185251   -0.383782
     81          1           0        2.383007   -2.502400    2.144623
     82          1           0        3.049048   -2.819766    0.562052
     83          1           0        2.297639   -5.238282    0.712547
     84          1           0        1.704210   -4.953296    2.369114
     85          1           0        3.428385   -4.785144    1.997935
     86          1           0       -0.823156   -5.263304    2.948966
     87          1           0       -0.441812   -5.009435    1.273642
     88          1           0       -3.172180   -4.363862    2.597182
     89          1           0       -2.791746   -5.846639    1.714692
     90          1           0       -2.860788   -4.326095    0.829639
     91          1           0        0.459008    4.780879    1.362706
     92          1           0        1.142176    4.753421   -0.299007
     93          1           0        1.868441    5.754665    0.958694
     94          1           0        3.126749    1.596778    4.483104
     95          1           0        3.643866    1.746037    2.821246
     96          1           0        4.343800   -0.399266    3.962362
     97          1           0        3.452880   -0.721478    2.485276
     98          1           0        2.656990   -0.895774    4.103254
     99          1           0       -2.721453    1.775637   -2.528574
    100          1           0       -1.179216    2.588040   -2.314652
    101          1           0       -2.074749    4.665218   -3.398185
    102          1           0       -3.674996    3.899863   -3.588408
    103          1           0       -2.262867    3.246938   -4.451365
    104          1           0       -2.193756    2.950699    3.269478
    105          1           0       -3.924262    2.949559    2.871618
    106          1           0       -3.434794    4.651893    4.608118
    107          1           0       -3.979235    5.465627    3.125435
    108          1           0       -2.249900    5.454870    3.552137
    109         53           0        5.135372   -0.140395   -0.235434
    110         53           0        2.791599   -0.314650   -1.861501
    111         53           0       -0.356326   -0.379769   -2.693762
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0688172           0.0411328           0.0384393
 Standard basis: DGDZVP (5D, 7F)
 There are   801 symmetry adapted cartesian basis functions of A   symmetry.
 There are   756 symmetry adapted basis functions of A   symmetry.
   756 basis functions,  1782 primitive gaussians,   801 cartesian basis functions
   224 alpha electrons      224 beta electrons
       nuclear repulsion energy     10259.5051228136 Hartrees.
 NAtoms=  111 NActive=  111 NUniq=  111 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Regular integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=   756 RedAO= T EigKep=  9.29D-04  NBF=   756
 NBsUse=   756 1.00D-06 EigRej= -1.00D+00 NBFU=   756
 Defaulting to unpruned grid for atomic number  53.
 ExpMin= 7.15D-02 ExpMax= 2.75D+05 ExpMxC= 4.12D+04 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  53.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -22240.4829609     A.U. after   17 cycles
            NFock= 17  Conv=0.18D-08     -V/T= 2.0024
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 ExpMin= 7.15D-02 ExpMax= 2.75D+05 ExpMxC= 4.12D+04 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 HarFok:  IExCor=  205 AccDes= 0.00D+00 IRadAn=         5 IDoV=-2 UseB2=F ITyADJ=14
 ICtDFT= 12500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  53.
 GSVD:  LWork=       -8820 too small for GESVD, short by       41850 words or       41850 for optimal perf.
 Range of M.O.s used for correlation:    91   756
 NBasis=   756 NAE=   224 NBE=   224 NFC=    90 NFV=     0
 NROrb=    666 NOA=   134 NOB=   134 NVA=   532 NVB=   532
 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
    12 initial guesses have been made.
 Convergence on wavefunction:    0.000001000000000
 Iteration     1 Dimension    12 NMult     0 NNew     12
 CISAX will form    12 AO SS matrices at one time.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 New state      1 was old state      2
 New state      2 was old state      1
 New state      3 was old state      4
 Iteration     2 Dimension    18 NMult    12 NNew      6
 Iteration     3 Dimension    24 NMult    18 NNew      6
 Iteration     4 Dimension    30 NMult    24 NNew      6
 Iteration     5 Dimension    36 NMult    30 NNew      6
 Iteration     6 Dimension    42 NMult    36 NNew      6
 Iteration     7 Dimension    48 NMult    42 NNew      6
 Iteration     8 Dimension    54 NMult    48 NNew      6
 Iteration     9 Dimension    60 NMult    54 NNew      6
 Iteration    10 Dimension    64 NMult    60 NNew      4
 ***********************************************************************
 Excited states from <AA,BB:AA,BB> singles matrix:
 ***********************************************************************
 
 Ground to excited state transition densities written to RWF  633
 Ground to excited state transition electric dipole moments (Au):
       state          X           Y           Z        Dip. S.      Osc.
         1        -0.1515     -0.0330     -0.0221      0.0245      0.0014
         2        -0.4307     -0.0030     -0.0918      0.1940      0.0111
         3        -0.0506      0.0753     -0.0274      0.0090      0.0007
 Ground to excited state transition velocity dipole moments (Au):
       state          X           Y           Z        Dip. S.      Osc.
         1         0.0129      0.0046      0.0018      0.0002      0.0015
         2         0.0391     -0.0003      0.0092      0.0016      0.0126
         3         0.0059     -0.0102      0.0035      0.0002      0.0009
 Ground to excited state transition magnetic dipole moments (Au):
       state          X           Y           Z
         1         0.1062     -0.1710     -0.0565
         2        -0.0444     -0.4427      0.0899
         3        -0.1905     -0.0808     -0.0566
 Ground to excited state transition velocity quadrupole moments (Au):
       state          XX          YY          ZZ          XY          XZ          YZ
         1         0.1175     -0.0068     -0.0399      0.0914     -0.0334      0.0197
         2         0.3234     -0.0166     -0.0885     -0.0458     -0.0554     -0.0127
         3         0.0658     -0.0169     -0.0206     -0.0205      0.0020      0.0161
 <0|del|b> * <b|rxdel|0> + <0|del|b> * <b|delr+rdel|0>
 Rotatory Strengths (R) in cgs (10**-40 erg-esu-cm/Gauss)
       state          XX          YY          ZZ    R(velocity)    E-M Angle
         1        -2.4148      5.7250      0.7260      1.3454       80.46
         2         2.1595     -4.0668     -4.5191     -2.1421       92.44
         3         1.8637     -3.7261     -1.3472     -1.0699      100.89
 1/2[<0|r|b>*<b|rxdel|0> + (<0|rxdel|b>*<b|r|0>)*]
 Rotatory Strengths (R) in cgs (10**-40 erg-esu-cm/Gauss)
       state          XX          YY          ZZ     R(length)
         1        11.3745     -3.9938     -0.8842      2.1655
         2       -13.5361     -0.9348      5.8353     -2.8785
         3        -6.8177      4.3064     -1.0975     -1.2029
  1/2[<0|del|b>*<b|r|0> + (<0|r|b>*<b|del|0>)*] (Au)
       state          X           Y           Z        Dip. S.   Osc.(frdel)
         1        -0.0020     -0.0002     -0.0000      0.0022      0.0014
         2        -0.0168      0.0000     -0.0008      0.0177      0.0118
         3        -0.0003     -0.0008     -0.0001      0.0012      0.0008

 Excitation energies and oscillator strengths:
 
 Excited State   1:      Singlet-A      2.2882 eV  541.83 nm  f=0.0014  <S**2>=0.000
     222 ->225         0.10309
     223 ->225         0.60987
     224 ->225         0.34297
 This state for optimization and/or second-order correction.
 Total Energy, E(TD-HF/TD-DFT) =  -22240.3988694    
 Copying the excited state density for this state as the 1-particle RhoCI density.
 
 Excited State   2:      Singlet-A      2.3254 eV  533.17 nm  f=0.0111  <S**2>=0.000
     221 ->225         0.11723
     222 ->225         0.17887
     223 ->225        -0.34843
     224 ->225         0.57643
 
 Excited State   3:      Singlet-A      2.9878 eV  414.97 nm  f=0.0007  <S**2>=0.000
     221 ->225         0.60957
     222 ->225        -0.34600
 SavETr:  write IOETrn=   770 NScale= 10 NData=  16 NLR=1 NState=    3 LETran=      64.
          Differentiating once with respect to electric field.
                with respect to dipole field.
          Electric field/nuclear overlap derivatives assumed to be zero.
          There are     1 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=     1.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 Defaulting to unpruned grid for atomic number  53.
 LinEq1:  Iter=  0 NonCon=     1 RMS=1.52D-03 Max=2.77D-01 NDo=     1
 AX will form     1 AO Fock derivatives at one time.
 LinEq1:  Iter=  1 NonCon=     1 RMS=8.14D-04 Max=1.13D-01 NDo=     1
 LinEq1:  Iter=  2 NonCon=     1 RMS=5.18D-04 Max=9.44D-02 NDo=     1
 LinEq1:  Iter=  3 NonCon=     1 RMS=1.97D-04 Max=1.91D-02 NDo=     1
 LinEq1:  Iter=  4 NonCon=     1 RMS=8.82D-05 Max=1.15D-02 NDo=     1
 LinEq1:  Iter=  5 NonCon=     1 RMS=4.76D-05 Max=4.43D-03 NDo=     1
 LinEq1:  Iter=  6 NonCon=     1 RMS=2.01D-05 Max=1.44D-03 NDo=     1
 LinEq1:  Iter=  7 NonCon=     1 RMS=1.27D-05 Max=1.03D-03 NDo=     1
 LinEq1:  Iter=  8 NonCon=     1 RMS=6.60D-06 Max=6.75D-04 NDo=     1
 LinEq1:  Iter=  9 NonCon=     1 RMS=3.61D-06 Max=3.45D-04 NDo=     1
 LinEq1:  Iter= 10 NonCon=     1 RMS=1.52D-06 Max=1.17D-04 NDo=     1
 LinEq1:  Iter= 11 NonCon=     1 RMS=1.04D-06 Max=1.08D-04 NDo=     1
 LinEq1:  Iter= 12 NonCon=     1 RMS=5.59D-07 Max=6.33D-05 NDo=     1
 LinEq1:  Iter= 13 NonCon=     1 RMS=2.65D-07 Max=1.92D-05 NDo=     1
 LinEq1:  Iter= 14 NonCon=     1 RMS=1.47D-07 Max=7.59D-06 NDo=     1
 LinEq1:  Iter= 15 NonCon=     1 RMS=7.22D-08 Max=2.96D-06 NDo=     1
 LinEq1:  Iter= 16 NonCon=     1 RMS=4.10D-08 Max=2.02D-06 NDo=     1
 LinEq1:  Iter= 17 NonCon=     1 RMS=1.77D-08 Max=1.19D-06 NDo=     1
 LinEq1:  Iter= 18 NonCon=     1 RMS=8.80D-09 Max=3.69D-07 NDo=     1
 LinEq1:  Iter= 19 NonCon=     1 RMS=3.64D-09 Max=2.33D-07 NDo=     1
 LinEq1:  Iter= 20 NonCon=     1 RMS=1.56D-09 Max=4.82D-08 NDo=     1
 LinEq1:  Iter= 21 NonCon=     1 RMS=8.31D-10 Max=2.57D-08 NDo=     1
 LinEq1:  Iter= 22 NonCon=     1 RMS=3.96D-10 Max=1.39D-08 NDo=     1
 LinEq1:  Iter= 23 NonCon=     1 RMS=2.55D-10 Max=1.36D-08 NDo=     1
 LinEq1:  Iter= 24 NonCon=     1 RMS=1.03D-10 Max=5.63D-09 NDo=     1
 LinEq1:  Iter= 25 NonCon=     1 RMS=5.41D-11 Max=2.54D-09 NDo=     1
 LinEq1:  Iter= 26 NonCon=     1 RMS=2.21D-11 Max=1.48D-09 NDo=     1
 LinEq1:  Iter= 27 NonCon=     1 RMS=1.05D-11 Max=1.08D-09 NDo=     1
 LinEq1:  Iter= 28 NonCon=     0 RMS=4.71D-12 Max=4.73D-10 NDo=     1
 Linear equations converged to 1.000D-10 1.000D-09 after    28 iterations.
 End of Minotr F.D. properties file   721 does not exist.
 End of Minotr F.D. properties file   722 does not exist.
 End of Minotr F.D. properties file   788 does not exist.
 Hyperfine terms turned off by default for NAtoms > 100.

 **********************************************************************

            Population analysis using the CI density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues -- ******************************-176.61322-176.59221
 Alpha  occ. eigenvalues -- -176.56823-165.99600-165.99342-165.99338-165.97452
 Alpha  occ. eigenvalues -- -165.97255-165.97249-165.94949-165.94907-165.94891
 Alpha  occ. eigenvalues --  -36.05655 -36.03600 -36.01220 -31.56907 -31.56138
 Alpha  occ. eigenvalues --  -31.56125 -31.54726 -31.54148 -31.54130 -31.52057
 Alpha  occ. eigenvalues --  -31.51935 -31.51889 -23.20974 -23.20799 -23.20789
 Alpha  occ. eigenvalues --  -23.20257 -23.20257 -23.18829 -23.18698 -23.18686
 Alpha  occ. eigenvalues --  -23.18285 -23.18285 -23.16246 -23.16226 -23.16193
 Alpha  occ. eigenvalues --  -23.16112 -23.16109 -14.79237 -14.78969 -14.78601
 Alpha  occ. eigenvalues --  -14.78399 -10.60064 -10.59752 -10.59423 -10.59210
 Alpha  occ. eigenvalues --  -10.58813 -10.58233 -10.57708 -10.57520 -10.56896
 Alpha  occ. eigenvalues --  -10.56539 -10.56345 -10.56124 -10.56040 -10.55423
 Alpha  occ. eigenvalues --  -10.54656 -10.54221 -10.51235 -10.49878 -10.49642
 Alpha  occ. eigenvalues --  -10.49080 -10.49074 -10.48826 -10.48474 -10.47997
 Alpha  occ. eigenvalues --  -10.47243 -10.46974 -10.46130 -10.45927 -10.45616
 Alpha  occ. eigenvalues --  -10.45101 -10.44087 -10.43915  -6.59263  -6.57200
 Alpha  occ. eigenvalues --   -6.54911  -5.01261  -4.99412  -4.99384  -4.98957
 Alpha  occ. eigenvalues --   -4.97492  -4.97438  -4.95951  -4.95632  -4.95502
 Alpha  occ. eigenvalues --   -2.27801  -2.27270  -2.27246  -2.25687  -2.25687
 Alpha  occ. eigenvalues --   -2.25536  -2.25115  -2.25066  -2.23821  -2.23820
 Alpha  occ. eigenvalues --   -2.22678  -2.22608  -2.22491  -2.22223  -2.22211
 Alpha  occ. eigenvalues --   -1.34726  -1.33751  -1.33614  -1.32596  -1.14786
 Alpha  occ. eigenvalues --   -1.13328  -1.13180  -1.12495  -1.11721  -1.10720
 Alpha  occ. eigenvalues --   -1.10212  -1.10032  -1.09022  -1.08484  -1.08251
 Alpha  occ. eigenvalues --   -1.06178  -1.04483  -1.02720  -1.01713  -1.01512
 Alpha  occ. eigenvalues --   -1.00882  -0.99953  -0.99166  -0.99056  -0.96372
 Alpha  occ. eigenvalues --   -0.95555  -0.94600  -0.93025  -0.91631  -0.91427
 Alpha  occ. eigenvalues --   -0.90954  -0.90944  -0.90407  -0.89618  -0.89082
 Alpha  occ. eigenvalues --   -0.88698  -0.88624  -0.87864  -0.87375  -0.86824
 Alpha  occ. eigenvalues --   -0.86361  -0.85559  -0.85053  -0.84815  -0.83366
 Alpha  occ. eigenvalues --   -0.83086  -0.82653  -0.82138  -0.81623  -0.81052
 Alpha  occ. eigenvalues --   -0.80389  -0.79809  -0.79578  -0.78788  -0.77923
 Alpha  occ. eigenvalues --   -0.77529  -0.77051  -0.76659  -0.75861  -0.75501
 Alpha  occ. eigenvalues --   -0.75038  -0.74808  -0.74373  -0.73971  -0.73882
 Alpha  occ. eigenvalues --   -0.73651  -0.73437  -0.73316  -0.72921  -0.72534
 Alpha  occ. eigenvalues --   -0.72414  -0.72221  -0.72048  -0.71878  -0.71631
 Alpha  occ. eigenvalues --   -0.71575  -0.71432  -0.71088  -0.70928  -0.70526
 Alpha  occ. eigenvalues --   -0.70392  -0.70121  -0.69825  -0.69513  -0.69143
 Alpha  occ. eigenvalues --   -0.69103  -0.68554  -0.66696  -0.65901  -0.65395
 Alpha  occ. eigenvalues --   -0.65329  -0.65265  -0.65180  -0.64936  -0.64855
 Alpha  occ. eigenvalues --   -0.64632  -0.64539  -0.64387  -0.64295  -0.64189
 Alpha  occ. eigenvalues --   -0.64002  -0.63777  -0.63356  -0.63214  -0.63058
 Alpha  occ. eigenvalues --   -0.62880  -0.62768  -0.62075  -0.62050  -0.61940
 Alpha  occ. eigenvalues --   -0.61674  -0.59289  -0.53619  -0.53378  -0.50246
 Alpha  occ. eigenvalues --   -0.49760  -0.49590  -0.47699  -0.47485
 Alpha virt. eigenvalues --   -0.35870  -0.30378  -0.29948  -0.28564  -0.27862
 Alpha virt. eigenvalues --   -0.27588  -0.25046  -0.24890  -0.24659  -0.23961
 Alpha virt. eigenvalues --   -0.23683  -0.23199  -0.23060  -0.22827  -0.22817
 Alpha virt. eigenvalues --   -0.22173  -0.22155  -0.21679  -0.21430  -0.21261
 Alpha virt. eigenvalues --   -0.21150  -0.20789  -0.20595  -0.20396  -0.19970
 Alpha virt. eigenvalues --   -0.19847  -0.19701  -0.19129  -0.18880  -0.18480
 Alpha virt. eigenvalues --   -0.18216  -0.18179  -0.17780  -0.17434  -0.17288
 Alpha virt. eigenvalues --   -0.17155  -0.16589  -0.16385  -0.16010  -0.15855
 Alpha virt. eigenvalues --   -0.15746  -0.15421  -0.15244  -0.15042  -0.14902
 Alpha virt. eigenvalues --   -0.14764  -0.14625  -0.14336  -0.13994  -0.13832
 Alpha virt. eigenvalues --   -0.13566  -0.13451  -0.12962  -0.12868  -0.12590
 Alpha virt. eigenvalues --   -0.12546  -0.11762  -0.11708  -0.11309  -0.11230
 Alpha virt. eigenvalues --   -0.10938  -0.10793  -0.10645  -0.10336  -0.10133
 Alpha virt. eigenvalues --   -0.09843  -0.09720  -0.09468  -0.09271  -0.09162
 Alpha virt. eigenvalues --   -0.09008  -0.08824  -0.08682  -0.08420  -0.08011
 Alpha virt. eigenvalues --   -0.07905  -0.07782  -0.07582  -0.07301  -0.07121
 Alpha virt. eigenvalues --   -0.06963  -0.06904  -0.06739  -0.06569  -0.06284
 Alpha virt. eigenvalues --   -0.06208  -0.06023  -0.05928  -0.05642  -0.05468
 Alpha virt. eigenvalues --   -0.05111  -0.05090  -0.04869  -0.04648  -0.04469
 Alpha virt. eigenvalues --   -0.04343  -0.04265  -0.04199  -0.04056  -0.03807
 Alpha virt. eigenvalues --   -0.03652  -0.03144  -0.02941  -0.02850  -0.02556
 Alpha virt. eigenvalues --   -0.02372  -0.02153  -0.01737  -0.01452  -0.01268
 Alpha virt. eigenvalues --   -0.01135  -0.00873  -0.00651  -0.00328  -0.00205
 Alpha virt. eigenvalues --    0.00048   0.00122   0.00236   0.00579   0.01202
 Alpha virt. eigenvalues --    0.01317   0.01695   0.01925   0.02231   0.02640
 Alpha virt. eigenvalues --    0.03008   0.03072   0.03451   0.03563   0.03758
 Alpha virt. eigenvalues --    0.04062   0.04238   0.04518   0.04660   0.04847
 Alpha virt. eigenvalues --    0.05058   0.05305   0.05450   0.05580   0.05835
 Alpha virt. eigenvalues --    0.06216   0.06484   0.06696   0.07097   0.07209
 Alpha virt. eigenvalues --    0.07486   0.07726   0.08250   0.08485   0.08743
 Alpha virt. eigenvalues --    0.09118   0.09568   0.09769   0.09919   0.10177
 Alpha virt. eigenvalues --    0.10627   0.11081   0.11429   0.11669   0.11851
 Alpha virt. eigenvalues --    0.12050   0.12403   0.12709   0.12900   0.13293
 Alpha virt. eigenvalues --    0.13661   0.14047   0.14257   0.14739   0.15273
 Alpha virt. eigenvalues --    0.15560   0.15942   0.16024   0.16367   0.16486
 Alpha virt. eigenvalues --    0.16815   0.17364   0.17789   0.18789   0.18919
 Alpha virt. eigenvalues --    0.19076   0.19800   0.20031   0.20576   0.20744
 Alpha virt. eigenvalues --    0.20967   0.21080   0.21498   0.22048   0.22214
 Alpha virt. eigenvalues --    0.22597   0.22979   0.23054   0.23265   0.23815
 Alpha virt. eigenvalues --    0.24002   0.24311   0.25138   0.25464   0.25870
 Alpha virt. eigenvalues --    0.25994   0.26449   0.26936   0.27384   0.27610
 Alpha virt. eigenvalues --    0.28140   0.28611   0.28850   0.29138   0.29447
 Alpha virt. eigenvalues --    0.30099   0.31103   0.31230   0.31955   0.32151
 Alpha virt. eigenvalues --    0.32920   0.33686   0.33880   0.34440   0.35882
 Alpha virt. eigenvalues --    0.36165   0.37363   0.37899   0.38584   0.39207
 Alpha virt. eigenvalues --    0.39803   0.40578   0.41277   0.42327   0.42721
 Alpha virt. eigenvalues --    0.43120   0.44263   0.45042   0.47045   0.48934
 Alpha virt. eigenvalues --    0.50126   0.50691   0.50945   0.51622   0.52692
 Alpha virt. eigenvalues --    0.52861   0.53613   0.54023   0.55220   0.55414
 Alpha virt. eigenvalues --    0.55758   0.56053   0.56463   0.56517   0.56642
 Alpha virt. eigenvalues --    0.57037   0.57257   0.57835   0.58437   0.58813
 Alpha virt. eigenvalues --    0.59293   0.59524   0.59995   0.60572   0.60867
 Alpha virt. eigenvalues --    0.61142   0.61356   0.61603   0.61923   0.62296
 Alpha virt. eigenvalues --    0.62464   0.62854   0.63202   0.63245   0.63460
 Alpha virt. eigenvalues --    0.63954   0.63972   0.64320   0.64530   0.64732
 Alpha virt. eigenvalues --    0.65191   0.65418   0.65737   0.66081   0.66418
 Alpha virt. eigenvalues --    0.66685   0.66935   0.67273   0.67368   0.67574
 Alpha virt. eigenvalues --    0.67791   0.68378   0.68752   0.69275   0.70052
 Alpha virt. eigenvalues --    0.70337   0.70452   0.71015   0.71209   0.71775
 Alpha virt. eigenvalues --    0.72003   0.72038   0.72556   0.72622   0.72978
 Alpha virt. eigenvalues --    0.73651   0.73828   0.74358   0.75325   0.75463
 Alpha virt. eigenvalues --    0.75961   0.76587   0.77143   0.77493   0.77950
 Alpha virt. eigenvalues --    0.78842   0.79597   0.80119   0.80235   0.80632
 Alpha virt. eigenvalues --    0.81092   0.81879   0.82170   0.82711   0.82951
 Alpha virt. eigenvalues --    0.83264   0.84676   0.85424   0.85644   0.85774
 Alpha virt. eigenvalues --    0.87275   0.87681   0.88811   0.89186   0.89269
 Alpha virt. eigenvalues --    0.91145   0.91422   0.91610   0.92435   0.92692
 Alpha virt. eigenvalues --    0.93340   0.94129   0.94310   0.95121   0.95606
 Alpha virt. eigenvalues --    0.96257   0.96609   0.98487   0.99118   0.99330
 Alpha virt. eigenvalues --    0.99672   1.00140   1.00899   1.02213   1.02702
 Alpha virt. eigenvalues --    1.03477   1.03643   1.04274   1.04596   1.04997
 Alpha virt. eigenvalues --    1.05523   1.05640   1.06154   1.06374   1.07112
 Alpha virt. eigenvalues --    1.07251   1.08391   1.08614   1.09391   1.09491
 Alpha virt. eigenvalues --    1.10483   1.10713   1.11111   1.12187   1.12670
 Alpha virt. eigenvalues --    1.12910   1.13449   1.14164   1.15193   1.15375
 Alpha virt. eigenvalues --    1.15964   1.16516   1.16732   1.17231   1.17980
 Alpha virt. eigenvalues --    1.18607   1.18815   1.19266   1.19694   1.19925
 Alpha virt. eigenvalues --    1.21070   1.21248   1.21821   1.22139   1.23487
 Alpha virt. eigenvalues --    1.23869   1.24675   1.24875   1.25983   1.26326
 Alpha virt. eigenvalues --    1.26900   1.27337   1.27888   1.28914   1.29087
 Alpha virt. eigenvalues --    1.29666   1.30261   1.30617   1.31311   1.32143
 Alpha virt. eigenvalues --    1.32255   1.32725   1.32948   1.33403   1.34547
 Alpha virt. eigenvalues --    1.35250   1.35876   1.36382   1.36943   1.37679
 Alpha virt. eigenvalues --    1.38486   1.39107   1.39817   1.40596   1.40964
 Alpha virt. eigenvalues --    1.41556   1.42447   1.43069   1.43173   1.43756
 Alpha virt. eigenvalues --    1.44762   1.44928   1.45210   1.45861   1.46085
 Alpha virt. eigenvalues --    1.47521   1.47854   1.48242   1.49261   1.49892
 Alpha virt. eigenvalues --    1.50774   1.50793   1.50969   1.52310   1.52506
 Alpha virt. eigenvalues --    1.52902   1.54266   1.54817   1.55106   1.56192
 Alpha virt. eigenvalues --    1.56854   1.57295   1.58053   1.58608   1.59793
 Alpha virt. eigenvalues --    1.60086   1.60692   1.61102   1.61666   1.61918
 Alpha virt. eigenvalues --    1.62364   1.62991   1.63840   1.64200   1.64556
 Alpha virt. eigenvalues --    1.65387   1.65671   1.66545   1.67965   1.68592
 Alpha virt. eigenvalues --    1.69125   1.70191   1.70414   1.70657   1.71723
 Alpha virt. eigenvalues --    1.72070   1.72508   1.73035   1.73572   1.73935
 Alpha virt. eigenvalues --    1.74347   1.74482   1.74581   1.75340   1.75532
 Alpha virt. eigenvalues --    1.75852   1.76194   1.76412   1.76657   1.77456
 Alpha virt. eigenvalues --    1.78112   1.78827   1.79179   1.79363   1.80319
 Alpha virt. eigenvalues --    1.80449   1.80760   1.81309   1.81543   1.82262
 Alpha virt. eigenvalues --    1.82631   1.83369   1.83508   1.84210   1.84596
 Alpha virt. eigenvalues --    1.85006   1.85754   1.85993   1.86539   1.86888
 Alpha virt. eigenvalues --    1.87728   1.88344   1.89588   1.90093   1.91477
 Alpha virt. eigenvalues --    1.92389   1.93679   1.94366   1.95390   1.96791
 Alpha virt. eigenvalues --    1.97147   1.98756   2.00785   2.01069   2.02386
 Alpha virt. eigenvalues --    2.02708   2.04300   2.05353   2.06978   2.08186
 Alpha virt. eigenvalues --    2.09011   2.10721   2.11846   2.13792   2.15111
 Alpha virt. eigenvalues --    2.17254   2.21882
          Condensed to atoms (all electrons):
 Mulliken charges:
               1
     1  N   -0.222610
     2  C   -0.389784
     3  C   -0.456360
     4  N   -0.202303
     5  H    0.332283
     6  H    0.280497
     7  H    0.265436
     8  H    0.352162
     9  C   -0.500380
    10  C   -0.373695
    11  N   -0.228542
    12  H    0.350298
    13  H    0.308323
    14  H    0.263330
    15  H    0.323987
    16  C   -0.416153
    17  C   -0.470853
    18  N   -0.210653
    19  H    0.338304
    20  H    0.311465
    21  H    0.267977
    22  H    0.337299
    23  C   -0.400326
    24  C   -0.392407
    25  H    0.326681
    26  H    0.268472
    27  H    0.249605
    28  H    0.321184
    29  C   -0.424914
    30  C   -0.377745
    31  C   -0.429439
    32  C   -0.404384
    33  C   -0.388666
    34  C   -0.385884
    35  C   -0.391436
    36  C   -0.408338
    37  C   -0.359748
    38  C   -0.462992
    39  C   -0.651851
    40  C   -0.450693
    41  C   -0.643060
    42  C   -0.454529
    43  C   -0.619287
    44  C   -0.446736
    45  C   -0.664074
    46  C   -0.658439
    47  C   -0.419700
    48  C   -0.661438
    49  C   -0.427273
    50  C   -0.592017
    51  C   -0.435350
    52  C   -0.582961
    53  H    0.318935
    54  H    0.289702
    55  H    0.291582
    56  H    0.291196
    57  H    0.299800
    58  H    0.248025
    59  H    0.282299
    60  H    0.292244
    61  H    0.273709
    62  H    0.309044
    63  H    0.300748
    64  H    0.287581
    65  H    0.323000
    66  H    0.288381
    67  H    0.300432
    68  H    0.323549
    69  H    0.309200
    70  H    0.270848
    71  H    0.303601
    72  H    0.256706
    73  H    0.165785
    74  H    0.248838
    75  H    0.309287
    76  H    0.285191
    77  H    0.215686
    78  H    0.235190
    79  H    0.297891
    80  H    0.205386
    81  H    0.209393
    82  H    0.285024
    83  H    0.237814
    84  H    0.200354
    85  H    0.285565
    86  H    0.295788
    87  H    0.259504
    88  H    0.210908
    89  H    0.321012
    90  H    0.183577
    91  H    0.161853
    92  H    0.221574
    93  H    0.320871
    94  H    0.287101
    95  H    0.263676
    96  H    0.319282
    97  H    0.199929
    98  H    0.196076
    99  H    0.237366
   100  H    0.259565
   101  H    0.215775
   102  H    0.215917
   103  H    0.277640
   104  H    0.219102
   105  H    0.243721
   106  H    0.270512
   107  H    0.232821
   108  H    0.211553
   109  I   -0.050855
   110  I   -0.024871
   111  I   -0.483665
 Sum of Mulliken charges =   3.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  N   -0.222610
     2  C    0.222996
     3  C    0.161238
     4  N   -0.202303
     9  C    0.158242
    10  C    0.213622
    11  N   -0.228542
    16  C    0.233616
    17  C    0.134424
    18  N   -0.210653
    23  C    0.194826
    24  C    0.178382
    29  C    0.183724
    30  C    0.205033
    31  C    0.118385
    32  C    0.170158
    33  C    0.194087
    34  C    0.202446
    35  C    0.219944
    36  C    0.215643
    37  C    0.220300
    38  C    0.097316
    39  C    0.072059
    40  C    0.050184
    41  C    0.095407
    42  C    0.039888
    43  C    0.104446
    44  C    0.108555
    45  C    0.051423
    46  C    0.045859
    47  C    0.131076
    48  C    0.053849
    49  C    0.069658
    50  C    0.117315
    51  C    0.027473
    52  C    0.131924
   109  I   -0.050855
   110  I   -0.024871
   111  I   -0.483665
 Electronic spatial extent (au):  <R**2>=          31525.8570
 Charge=              3.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=            -22.1798    Y=              4.5469    Z=             19.2026  Tot=             29.6877
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -147.9235   YY=           -163.4082   ZZ=           -252.7817
   XY=              4.0933   XZ=             12.9722   YZ=             -5.7781
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             40.1143   YY=             24.6296   ZZ=            -64.7439
   XY=              4.0933   XZ=             12.9722   YZ=             -5.7781
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=           -274.3391  YYY=             30.7642  ZZZ=            -34.6177  XYY=            -68.3022
  XXY=            -43.1931  XXZ=              9.8820  XZZ=             43.1167  YZZ=             46.9393
  YYZ=            102.2183  XYZ=              0.7154
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=         -15255.7310 YYYY=          -8950.4821 ZZZZ=          -6844.3722 XXXY=            549.6515
 XXXZ=           -116.4622 YYYX=           -200.3428 YYYZ=            -50.5962 ZZZX=              6.7475
 ZZZY=            107.2762 XXYY=          -3895.3178 XXZZ=          -3720.2402 YYZZ=          -2525.6256
 XXYZ=             67.6230 YYXZ=           -205.3931 ZZXY=            -96.9186
 N-N= 1.025950512281D+04 E-N=-7.305560510490D+04  KE= 2.218684907591D+04
 1\1\GINC-NODE01\SP\RB3LYP TD-FC\DGDZVP\C32H72I3N4(3+)\DELL\10-Jan-2025
 \0\\# td b3lyp/dgdzvp density=current\\structure\\3,1\N,0,-3.80666,2.7
 8866,-0.220309\C,0,-2.49687,2.53392,0.522109\C,0,-1.33679,2.07418,-0.3
 68279\N,0,0.0441552,2.33737,0.198519\H,0,-2.72358,1.74448,1.24237\H,0,
 -2.29004,3.45146,1.10215\H,0,-1.35153,2.54247,-1.3582\H,0,-1.38116,0.9
 9007,-0.531515\C,0,0.34813,3.82209,0.339714\C,0,0.559261,4.52064,-1.00
 737\N,0,0.588663,6.03806,-0.944509\H,0,1.27134,3.87198,0.926082\H,0,-0
 .448729,4.27561,0.950915\H,0,-0.218155,4.2587,-1.73406\H,0,1.51881,4.2
 1788,-1.43469\C,0,-0.796545,6.58572,-0.61477\C,0,-1.83565,6.42696,-1.7
 3006\N,0,-3.27349,6.54487,-1.2377\H,0,-0.654554,7.64736,-0.38605\H,0,-
 1.10974,6.1135,0.328643\H,0,-1.76625,5.47129,-2.26325\H,0,-1.70379,7.2
 1827,-2.47373\C,0,-3.69387,5.35101,-0.401512\C,0,-3.70087,4.01051,-1.1
 3634\H,0,-4.70612,5.60068,-0.0688775\H,0,-3.05928,5.34694,0.503659\H,0
 ,-2.79716,3.85096,-1.73633\H,0,-4.55542,3.96047,-1.81539\C,0,1.53389,6
 .55236,0.172188\C,0,-3.42101,7.76964,-0.293769\C,0,3.02239,6.25544,0.0
 220605\C,0,1.09566,6.51828,-2.32918\C,0,-4.1534,6.71975,-2.49175\C,0,0
 .253279,1.65653,1.5928\C,0,1.08973,1.62088,-0.71088\C,0,-4.9104,3.0197
 4,0.848171\C,0,-4.13663,1.57509,-1.12341\C,0,-4.94284,2.09339,2.06918\
 C,0,-5.02018,0.572047,1.91172\C,0,-5.48795,1.57118,-1.85579\C,0,-6.659
 61,0.866346,-1.16514\C,0,-3.06263,9.12679,-0.898181\C,0,-4.25209,9.949
 5,-1.40665\C,0,-5.66172,6.85587,-2.28\C,0,-6.49117,5.57202,-2.16685\C,
 0,3.5477,4.87296,0.418071\C,0,1.43194,7.99802,-2.49721\C,0,0.284229,8.
 99772,-2.64778\C,0,-0.303988,2.32319,2.83574\C,0,0.215783,1.55379,4.06
 178\C,0,0.884098,1.58556,-2.22131\C,0,2.10556,0.883901,-2.83988\H,0,1.
 11377,6.17941,1.11639\H,0,1.3746,7.63989,0.177169\H,0,-2.79889,7.53326
 ,0.581859\H,0,-4.46559,7.75139,0.0410951\H,0,3.4892,6.99298,0.695841\H
 ,0,3.38011,6.53733,-0.979455\H,0,0.339201,6.19037,-3.05876\H,0,2.00351
 ,5.92734,-2.50555\H,0,-3.91919,5.87314,-3.15511\H,0,-3.76414,7.63377,-
 2.95528\H,0,1.34736,1.58382,1.68129\H,0,-0.141924,0.638677,1.4613\H,0,
 1.1105,0.584209,-0.34825\H,0,2.04926,2.08282,-0.439486\H,0,-5.84691,3.
 00839,0.280181\H,0,-4.7267,4.02332,1.24945\H,0,-4.0442,0.696008,-0.475
 378\H,0,-3.32241,1.56014,-1.86134\H,0,-5.84923,2.43461,2.5975\H,0,-4.1
 1659,2.3748,2.7419\H,0,-4.08804,0.121454,1.53395\H,0,-5.84256,0.259086
 ,1.25871\H,0,-5.1979,0.126025,2.90003\H,0,-5.29204,1.04307,-2.80338\H,
 0,-5.78544,2.5878,-2.15907\H,0,-6.38927,-0.162345,-0.887972\H,0,-7.503
 87,0.801405,-1.86563\H,0,-7.02002,1.38088,-0.265198\H,0,-2.30612,9.023
 77,-1.69057\H,0,-2.55321,9.68116,-0.0919314\H,0,-5.00472,10.0735,-0.61
 4093\H,0,-4.74395,9.49918,-2.28135\H,0,-3.91778,10.9545,-1.6997\H,0,-6
 .00598,7.39553,-3.17681\H,0,-5.8799,7.54254,-1.45081\H,0,-6.26039,4.87
 549,-2.98883\H,0,-7.55785,5.82208,-2.25214\H,0,-6.37112,5.04973,-1.205
 58\H,0,3.24136,4.0677,-0.26854\H,0,3.24748,4.60952,1.44469\H,0,4.64615
 ,4.88602,0.405926\H,0,2.02977,8.0134,-3.42381\H,0,2.12259,8.32877,-1.7
 0818\H,0,0.688077,9.95388,-3.01032\H,0,-0.210081,9.22118,-1.69282\H,0,
 -0.450847,8.66435,-3.39976\H,0,-1.40124,2.33385,2.85058\H,0,0.0131809,
 3.37307,2.91134\H,0,1.31269,1.60512,4.12638\H,0,-0.0808077,0.494415,4.
 04128\H,0,-0.196263,2.00457,4.97467\H,0,0.779354,2.58389,-2.6684\H,0,-
 0.021235,1.01114,-2.47229\H,0,1.9763,0.792069,-3.92653\H,0,2.23704,-0.
 127428,-2.42871\H,0,3.03105,1.45093,-2.65482\I,0,0.598013,10.3403,1.25
 086\I,0,-0.810591,8.23126,2.56825\I,0,-2.34011,5.39247,3.02451\\Versio
 n=ES64L-G16RevA.03\State=1-A\HF=-22240.4829609\RMSD=1.795e-09\Dipole=-
 0.9393685,-8.236804,-8.2277673\Quadrupole=21.166937,26.0844709,-47.251
 4079,7.4113729,11.1047944,-5.7293014\PG=C01 [X(C32H72I3N4)]\\@


  DISAPPOINTMENT IS THE NURSE OF WISDOM.               
                              SIR BOYLE ROCHE                 
 Job cpu time:       0 days 10 hours 50 minutes  5.9 seconds.
 Elapsed time:       0 days  0 hours 13 minutes 38.5 seconds.
 File lengths (MBytes):  RWF=   2999 Int=      0 D2E=      0 Chk=    108 Scr=      1
 Normal termination of Gaussian 16 at Fri Jan 10 19:28:04 2025.
