%chk=000259048.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259048

0 1
S 2.695793 -1.615090 -0.074910
S -2.695785 1.615037 0.075047
O 2.697958 -2.387336 -1.302525
O 2.729767 -2.304784 1.201965
O -2.729715 2.304817 -1.201783
O -2.697995 2.387204 1.302711
N 1.281094 -0.624171 -0.144007
N -1.281085 0.624119 0.144136
C 0.108159 -1.200127 -0.865853
C -0.108151 1.200082 0.865973
C 0.919830 0.064198 1.126077
C -0.919821 -0.064240 -1.125952
C -0.542508 -2.379880 -0.136444
C 0.542513 2.379825 0.136549
C 3.973404 -0.446105 -0.099797
C -3.973392 0.446045 0.099808
C 4.781453 -0.281515 1.030191
C -4.781486 0.281628 -1.030173
C 4.206013 0.315018 -1.248514
C -4.205956 -0.315254 1.248418
C 5.820247 0.652943 1.014429
C -5.820284 -0.652828 -1.014511
C 5.245138 1.251581 -1.265507
C -5.245085 -1.251815 1.265311
C 6.050216 1.419521 -0.134131
C -6.050210 -1.419579 0.133942
H 0.489723 -1.556538 -1.866378
H -0.489714 1.556501 1.866495
H 1.835795 0.505260 1.577141
H 0.496002 -0.647660 1.872819
H -0.495991 0.647623 -1.872686
H -1.835786 -0.505298 -1.577020
H -1.003471 -2.066938 0.809219
H -1.330220 -2.836655 -0.744899
H 0.179535 -3.173318 0.096247
H 1.330174 2.836655 0.745028
H 1.003537 2.066858 -0.809075
H -0.179546 3.173228 -0.096219
H 4.604067 -0.889896 1.925643
H -4.604130 0.890141 -1.925542
H 3.582591 0.180020 -2.137535
H -3.582495 -0.180398 2.137432
H 6.451447 0.781281 1.892519
H -6.451519 -0.781031 -1.892595
H 5.427818 1.845638 -2.159757
H -5.427730 -1.846008 2.159478
H 6.861500 2.148657 -0.147292
H -6.861498 -2.148713 0.147025


%chk=000259048-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259048

0 1
S 2.758297 -1.670587 -0.124350
S -2.758288 1.670533 0.124381
O 2.744738 -2.476696 -1.540051
O 2.855788 -2.474479 1.298215
O -2.855773 2.474433 -1.298180
O -2.744733 2.476636 1.540085
N 1.254982 -0.528741 -0.208573
N -1.254974 0.528685 0.208605
C 0.096790 -1.200316 -0.889242
C -0.096782 1.200260 0.889274
C 0.930551 0.053348 1.121642
C -0.930542 -0.053404 -1.121609
C -0.515478 -2.409972 -0.146590
C 0.515487 2.409915 0.146622
C 4.146146 -0.389017 -0.132354
C -4.146137 0.388963 0.132372
C 4.872513 -0.216161 1.056015
C -4.872511 0.216129 -1.055996
C 4.418251 0.294104 -1.329000
C -4.418236 -0.294178 1.329007
C 5.931210 0.722877 1.044379
C -5.931210 -0.722908 -1.044370
C 5.480100 1.227542 -1.319466
C -5.480086 -1.227615 1.319463
C 6.228452 1.442571 -0.136538
C -6.228446 -1.442622 0.136537
H 0.469256 -1.529769 -1.876374
H -0.469248 1.529713 1.876407
H 1.848990 0.485473 1.558164
H 0.515426 -0.688556 1.830401
H -0.515417 0.688500 -1.830368
H -1.848981 -0.485528 -1.558132
H -1.022111 -2.104944 0.783817
H -1.262366 -2.899969 -0.797320
H 0.261670 -3.156726 0.092675
H 1.262371 2.899916 0.797354
H 1.022123 2.104887 -0.783783
H -0.261662 3.156668 -0.092647
H 4.626913 -0.811198 1.942100
H -4.626914 0.811179 -1.942073
H 3.834477 0.096738 -2.233193
H -3.834455 -0.096830 2.233201
H 6.521757 0.884848 1.951946
H -6.521763 -0.884862 -1.951936
H 5.722849 1.780783 -2.232574
H -5.722830 -1.780871 2.232564
H 7.050345 2.166625 -0.139028
H -7.050340 -2.166674 0.139019


