%chk=000188054.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188054

0 1
S -0.358966 1.193838 2.167138
P -1.339545 2.074590 0.541949
O -2.349373 3.153201 1.231337
O -2.362347 0.888813 0.024441
O -0.415417 2.632629 -0.469195
N 2.978416 -1.491261 -0.817559
C 2.666156 -0.124060 -0.261723
C 1.628095 -0.247954 0.895499
C 2.080629 0.728762 -1.409571
C 2.112974 -1.229729 1.977531
C 3.490450 -2.423459 0.242514
C 4.001541 -1.396029 -1.916910
C 2.436627 -2.585768 1.346430
C 3.085813 0.873309 -2.554228
C 3.484025 -0.515887 -3.065545
C 1.359592 1.127311 1.507448
C -3.398945 2.676786 2.125962
C -2.013884 0.263845 -1.246379
C -4.738396 2.835586 1.378167
C -1.404707 -1.120913 -0.955022
C -5.766284 3.526489 2.280195
C -5.261376 1.484623 0.887839
C -2.493685 -2.114961 -0.548431
C -0.619055 -1.599289 -2.176845
H 3.588285 0.372174 0.135301
H 0.682660 -0.674258 0.445645
H 1.151293 0.244704 -1.792713
H 1.762383 1.725556 -1.036323
H 3.004420 -0.829211 2.495495
H 1.333705 -1.347943 2.754865
H 3.677790 -3.408358 -0.238618
H 4.454069 -2.089487 0.684363
H 4.978460 -1.005870 -1.557355
H 4.181444 -2.425391 -2.296614
H 1.516528 -3.033241 0.918683
H 2.799954 -3.294100 2.112760
H 2.644723 1.472924 -3.372490
H 3.978972 1.431287 -2.216321
H 4.257663 -0.435550 -3.850173
H 2.608533 -1.004285 -3.537865
H 2.023657 1.347121 2.364240
H 1.526198 1.948104 0.768915
H -3.226361 1.649770 2.486767
H -3.301809 3.381949 2.976560
H -1.343218 0.905268 -1.852518
H -2.995638 0.194168 -1.753052
H -4.545835 3.493020 0.488062
H -0.678193 -1.024852 -0.093654
H -5.432972 4.527006 2.578805
H -6.724017 3.647443 1.760068
H -5.965628 2.952108 3.191094
H -6.149462 1.606505 0.259210
H -4.504292 0.958428 0.284878
H -5.534232 0.822677 1.715851
H -3.183471 -2.328913 -1.371183
H -3.083718 -1.718704 0.288514
H -2.061255 -3.068643 -0.227370
H -1.223201 -1.617664 -3.087209
H -0.225448 -2.611582 -2.020466
H 0.264674 -0.956134 -2.354099


%chk=000188054-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188054

0 1
S -0.836996 0.355636 1.627411
P -2.028396 1.143064 -0.190959
O -2.954958 2.482202 0.364714
O -3.281942 -0.034451 -0.415873
O -1.133190 1.496333 -1.458108
N 3.806311 -1.063477 -0.691434
C 3.026383 0.127138 -0.224511
C 1.678765 -0.341805 0.417846
C 2.779586 1.091889 -1.412081
C 1.922599 -1.389888 1.527748
C 4.068258 -2.043852 0.392213
C 5.082399 -0.684247 -1.356064
C 2.758524 -2.569718 0.999819
C 4.081765 1.488306 -2.136714
C 4.848640 0.224975 -2.573989
C 0.888885 0.862292 0.962717
C -3.819391 2.338394 1.572372
C -3.127722 -1.037202 -1.512983
C -4.454703 3.712290 1.831683
C -2.231035 -2.226735 -1.123422
C -5.251971 3.653953 3.157756
C -5.346129 4.152261 0.649437
C -2.765125 -2.957163 0.126807
C -2.121457 -3.178266 -2.340062
H 3.613779 0.677213 0.566296
H 1.086289 -0.810356 -0.394536
H 2.089754 0.598328 -2.123990
H 2.271565 2.005070 -1.053245
H 2.461552 -0.905653 2.370630
H 0.951564 -1.743504 1.924843
H 4.654793 -2.877108 -0.039340
H 4.692306 -1.588823 1.209010
H 5.769631 -0.159848 -0.637841
H 5.588872 -1.618273 -1.666115
H 2.192144 -3.115229 0.220549
H 2.985299 -3.283245 1.815172
H 3.850073 2.131350 -3.006665
H 4.721151 2.086451 -1.453914
H 5.821959 0.489031 -3.030865
H 4.258876 -0.328399 -3.330011
H 1.391222 1.336627 1.824312
H 0.694569 1.617694 0.185522
H -4.590132 1.569509 1.370645
H -3.187997 2.020374 2.426389
H -2.740636 -0.525951 -2.414951
H -4.166656 -1.368276 -1.690057
H -3.627939 4.441463 1.944006
H -1.217802 -1.834261 -0.898340
H -4.606088 3.386580 4.015036
H -5.710590 4.635965 3.372119
H -6.068536 2.909091 3.096835
H -5.751940 5.165824 0.822212
H -4.770954 4.161025 -0.291786
H -6.201346 3.459740 0.525728
H -3.760882 -3.398736 -0.073232
H -2.861402 -2.261712 0.978502
H -2.083775 -3.775167 0.424213
H -3.112312 -3.591336 -2.611243
H -1.457037 -4.029290 -2.106025
H -1.709474 -2.661603 -3.227094


