%chk=000262329.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262329

0 1
S 5.728399 1.299714 0.839085
S -5.728733 -1.297618 0.842745
O 4.850538 0.626423 -0.451534
O -4.850573 -0.628469 -0.449827
O 5.368445 0.711286 2.092299
O 5.615736 2.723276 0.664608
O -5.368463 -0.705766 2.094246
O -5.616740 -2.721721 0.672319
O 7.311978 -2.745172 0.580603
O -7.310899 2.747089 0.573914
O 5.700374 -1.306679 0.805594
O -5.699662 1.308646 0.801848
N 6.854047 -1.618122 0.572892
N -6.853325 1.619886 0.568777
C 0.731998 0.099650 -0.353481
C -0.732034 -0.101459 -0.353189
C 3.476132 0.478232 -0.351625
C -3.476187 -0.479991 -0.350245
C 7.336404 0.831398 0.317469
C -7.336561 -0.830103 0.319848
C 1.347128 0.782936 -1.416421
C -1.347190 -0.787673 -1.414229
C 1.509970 -0.392978 0.709146
C -1.509985 0.394096 0.708089
C 2.727511 0.983905 -1.423044
C -2.727574 -0.988635 -1.420272
C 2.892373 -0.211381 0.718144
C -2.892391 0.212533 0.717617
C 7.783987 -0.493239 0.241341
C -7.783685 0.494476 0.240231
C 8.217441 1.855967 -0.026915
C -8.217953 -1.855271 -0.021862
C 9.086380 -0.805534 -0.152442
C -9.085972 0.806198 -0.154371
C 9.530638 1.559668 -0.428296
C -9.531032 -1.559566 -0.424047
C 9.964045 0.236072 -0.487814
C -9.963989 -0.235977 -0.487025
H 0.740541 1.167854 -2.236332
H -0.740623 -1.174870 -2.233080
H 1.030864 -0.929768 1.529288
H -1.030863 0.933149 1.526737
H 3.223730 1.513743 -2.232754
H -3.223813 -1.520704 -2.228508
H 3.510124 -0.603992 1.533763
H -3.510097 0.607374 1.532198
H 7.886582 2.905619 0.011414
H -7.887459 -2.904934 0.019249
H 9.412628 -1.851496 -0.197958
H -9.411852 1.852150 -0.202606
H 10.209119 2.373390 -0.694224
H -10.209792 -2.373739 -0.687876
H 10.985458 0.001994 -0.797129
H -10.985322 -0.002370 -0.796957


%chk=000262329-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000262329

0 1
S 5.982916 1.700895 -0.341131
S -5.983944 -1.702414 -0.336821
O 4.955807 -0.041719 -0.992266
O -4.955689 0.038161 -0.991776
O 5.272042 2.500798 0.885614
O 6.348121 2.562969 -1.677291
O -5.274089 -2.500402 0.891765
O -6.349693 -2.567032 -1.671191
O 7.208048 -0.915204 3.342331
O -7.206673 0.924291 3.339829
O 5.633845 -0.117981 1.899881
O -5.633296 0.120996 1.899844
N 6.853346 -0.333590 2.248023
N -6.852571 0.339151 2.247205
C 0.738168 0.007047 -0.940873
C -0.738085 -0.011546 -0.940734
C 3.598522 0.029024 -0.947867
C -3.598449 -0.032984 -0.947308
C 7.677087 0.910658 0.179196
C -7.677457 -0.909408 0.181478
C 1.469635 0.289546 -2.140870
C -1.469751 -0.297676 -2.139750
C 1.481733 -0.248240 0.256680
C -1.481457 0.247538 0.256128
C 2.867216 0.323765 -2.145841
C -2.867339 -0.331584 -2.144456
C 2.880403 -0.235762 0.264989
C -2.880127 0.235302 0.264656
C 7.923508 0.105673 1.312888
C -7.923157 -0.101406 1.313174
C 8.723648 1.253247 -0.693294
C -8.724300 -1.253111 -0.690231
C 9.236210 -0.343021 1.586300
C -9.235436 0.349226 1.585428
C 10.034197 0.795699 -0.423954
C -10.034421 -0.793640 -0.422075
C 10.289306 0.002150 0.716471
C -10.288823 0.002935 0.716399
H 0.928841 0.530250 -3.061665
H -0.929116 -0.541359 -3.059851
H 0.950314 -0.493093 1.181589
H -0.949875 0.495205 1.180193
H 3.431524 0.560561 -3.053416
H -3.431806 -0.571013 -3.051243
H 3.449264 -0.433403 1.177575
H -3.448851 0.435852 1.176701
H 8.501491 1.878317 -1.565121
H -8.502688 -1.880493 -1.560535
H 9.395852 -0.958686 2.475810
H -9.394515 0.967248 2.473403
H 10.847688 1.064645 -1.104993
H -10.848136 -1.063459 -1.102502
H 11.303482 -0.350759 0.926947
H -11.302671 0.357330 0.925960


