%chk=000244681.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244681

0 1
S -0.946905 0.615802 1.026423
O -1.075848 1.819836 -0.164276
O 3.615082 0.709802 -0.184937
O -1.832623 1.018554 2.087581
O 0.470073 0.503503 1.299673
O 1.881502 0.056279 -1.541585
N 2.177109 2.292473 -0.892807
C -0.160085 2.919231 -0.144204
C 0.830956 2.743103 -1.308454
C -1.570917 -0.724148 0.166195
C 3.303153 -1.118080 1.361697
C 3.980595 -0.687694 0.064649
C -0.792129 -1.367432 -0.801982
C -2.873159 -1.170556 0.434661
C 2.457520 0.920357 -0.905727
C 3.530849 -2.598522 1.637264
C -1.314736 -2.461906 -1.499440
C -3.392337 -2.262756 -0.261093
C -2.611322 -2.907746 -1.229760
H -0.813980 3.800984 -0.306538
H 0.338596 3.014807 0.837224
H 0.958526 3.705180 -1.856258
H 0.401721 2.013209 -2.044002
H 3.671404 -0.500732 2.204898
H 2.211975 -0.887278 1.307519
H 2.642424 2.856113 -0.178845
H 3.691074 -1.304590 -0.803929
H 5.078809 -0.612684 0.142652
H 0.231990 -1.020266 -1.023556
H -3.482365 -0.664069 1.192904
H 4.596212 -2.838459 1.728826
H 3.047724 -2.897627 2.575854
H 3.113368 -3.228717 0.843165
H -0.706907 -2.960019 -2.254727
H -4.402642 -2.612137 -0.053394
H -3.019106 -3.760416 -1.774973


%chk=000244681-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244681

0 1
S -1.107525 0.803962 1.021790
O -1.082054 1.880849 -0.515406
O 3.602773 0.721660 -0.034339
O -2.251830 1.313224 2.048331
O 0.416374 0.684514 1.568767
O 1.849696 0.174798 -1.518643
N 2.151815 2.341910 -0.653014
C -0.258383 3.105655 -0.434196
C 1.009252 2.977118 -1.309133
C -1.691710 -0.750569 0.138904
C 3.310989 -1.311187 1.363593
C 3.953696 -0.718471 0.101687
C -0.859673 -1.315374 -0.841368
C -2.937876 -1.263165 0.532814
C 2.461319 1.009153 -0.795618
C 3.671205 -2.805045 1.521739
C -1.325997 -2.500569 -1.458439
C -3.375706 -2.449283 -0.100161
C -2.571469 -3.063134 -1.089433
H -0.910975 3.912146 -0.819489
H 0.008568 3.340106 0.615183
H 1.308337 3.991400 -1.640097
H 0.755409 2.387949 -2.206976
H 3.653258 -0.740086 2.246890
H 2.214854 -1.179684 1.307875
H 2.691394 2.858199 0.042989
H 3.621291 -1.251096 -0.808093
H 5.055469 -0.725417 0.160351
H 0.095155 -0.854412 -1.127519
H -3.534667 -0.756979 1.298196
H 4.765354 -2.953112 1.597024
H 3.212657 -3.222096 2.435784
H 3.307525 -3.398981 0.662084
H -0.714048 -2.974238 -2.232848
H -4.340158 -2.885823 0.178552
H -2.918717 -3.980522 -1.577086


