%chk=000188626.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188626

0 1
S -0.896429 1.228489 0.476632
O 3.642843 -0.831015 0.667285
O -2.962948 -1.429781 0.924676
O 3.294046 0.291228 -1.269522
O -1.717896 -1.494252 -0.934666
O -5.963304 0.736554 -1.000760
N -4.202625 0.801795 0.441909
C -3.242160 0.414222 -0.603022
C -2.166948 1.486701 -0.793827
C 5.974721 -0.170751 0.432437
C 0.512147 0.562860 -0.474155
C 7.403798 -0.675601 0.199176
C 1.624675 0.336530 0.534016
C 4.956926 -1.284573 0.212507
C 2.905942 -0.028710 -0.172231
C -2.536287 -0.905617 -0.268118
C 8.429692 0.435406 0.407215
C -5.576864 0.876192 0.145784
C -6.458915 1.174102 1.320303
H -3.810145 0.260025 -1.577707
H -2.590306 2.505881 -0.671656
H -1.741986 1.448923 -1.814971
H 5.751819 0.676875 -0.249099
H 5.870991 0.235957 1.457740
H 0.218054 -0.383371 -0.982103
H 0.822409 1.273484 -1.266464
H 7.497213 -1.080350 -0.828684
H 7.624558 -1.519652 0.882194
H 1.817924 1.248606 1.147653
H 1.355671 -0.457189 1.269551
H 5.115822 -2.160544 0.866565
H 4.881703 -1.592804 -0.844908
H -3.855267 0.794898 1.399157
H 8.263570 1.272744 -0.281187
H 8.391444 0.837538 1.426138
H 9.448932 0.069948 0.236810
H -7.502703 1.297960 0.983980
H -6.455269 0.360080 2.058822
H -6.176392 2.100306 1.838920
H -2.502455 -2.285496 1.148208


%chk=000188626-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188626

0 1
S -1.012220 1.594792 0.093790
O 3.590110 -0.634758 0.877876
O -3.432092 -1.927501 0.316560
O 3.243252 0.098607 -1.312661
O -1.878805 -1.599089 -1.371910
O -6.154600 0.786382 -0.549441
N -4.064260 0.700134 0.458056
C -3.393889 0.261412 -0.762019
C -2.324636 1.264877 -1.241103
C 6.014027 -0.081172 0.626947
C 0.469438 0.657367 -0.642774
C 7.423935 -0.638001 0.315578
C 1.554254 0.550946 0.440778
C 4.936207 -1.163945 0.489258
C 2.856079 -0.000346 -0.125404
C -2.800167 -1.150522 -0.652802
C 8.524145 0.434508 0.466877
C -5.435356 0.919505 0.488143
C -6.008250 1.321686 1.840217
H -4.203552 0.205611 -1.525514
H -2.798967 2.232306 -1.466149
H -1.805451 0.887533 -2.135825
H 5.784190 0.751797 -0.064366
H 5.993142 0.326178 1.656473
H 0.118370 -0.333453 -0.969982
H 0.841218 1.221430 -1.512174
H 7.440886 -1.041209 -0.717015
H 7.643371 -1.490435 0.990538
H 1.776003 1.554466 0.858660
H 1.227831 -0.079068 1.285235
H 5.101225 -1.997335 1.192154
H 4.880260 -1.541806 -0.547715
H -3.498813 0.789625 1.304780
H 8.345034 1.284315 -0.217799
H 8.551100 0.833162 1.498329
H 9.522790 0.020201 0.237893
H -6.647000 2.211170 1.711459
H -6.652207 0.506087 2.213876
H -5.234896 1.537666 2.597130
H -3.045705 -2.845526 0.298643


