%chk=000218558.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218558

0 1
S -1.916646 0.546954 -1.799781
O 0.515037 -0.834623 0.861846
O 5.637175 3.010937 1.246650
O -2.814818 -0.479489 -2.297932
O -1.413399 1.557247 -2.709190
N -0.523417 -0.231298 -1.172977
N 3.335745 1.467300 0.550422
C 1.785857 -0.418730 0.291000
C 1.910247 -0.764193 -1.193436
C 0.705520 -0.280265 -2.015815
C 1.886459 1.096900 0.583794
C -0.557625 -1.164243 -0.039086
C 3.948547 1.369528 1.916735
C 3.531104 2.850202 0.003093
C -0.490903 -2.637138 -0.427145
C 5.446294 1.694778 1.805470
C 5.039217 3.142388 -0.059267
C -2.628910 1.269522 -0.409421
C 0.343648 -3.508464 0.285498
C -1.303901 -3.135746 -1.453130
C -2.037910 2.388760 0.187298
C -3.820225 0.750373 0.113616
C 0.376684 -4.867899 -0.035102
C -1.268290 -4.496420 -1.771594
C -0.427938 -5.363569 -1.066307
C -2.623391 2.980625 1.306328
C -4.410892 1.335903 1.231603
C -3.815511 2.457442 1.837592
C -4.436857 3.076890 3.043221
H 2.517237 -0.995909 0.901935
H 2.020998 -1.862470 -1.304266
H 2.845511 -0.319196 -1.591686
H 0.889015 0.745537 -2.415135
H 0.553895 -0.954424 -2.889441
H 1.384911 1.309040 1.552675
H 1.312304 1.661987 -0.179588
H -1.455530 -0.979417 0.609505
H 3.812096 0.332276 2.289535
H 3.470891 2.049189 2.655125
H 3.022142 3.631771 0.606588
H 3.099660 2.885727 -1.020296
H 5.929972 1.784104 2.793536
H 5.980586 0.958289 1.179852
H 5.558094 2.465882 -0.761094
H 5.250642 4.195805 -0.312207
H 0.962428 -3.115812 1.094391
H -1.973650 -2.467931 -2.009881
H -1.115041 2.808478 -0.225448
H -4.293636 -0.118233 -0.362433
H 1.026987 -5.540862 0.519797
H -1.899862 -4.879042 -2.571856
H -0.402200 -6.422027 -1.317188
H -2.157379 3.849794 1.766705
H -5.335548 0.925685 1.634124
H -4.060317 2.600310 3.962727
H -4.218604 4.150897 3.127435
H -5.531203 2.972382 3.054707


%chk=000218558-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218558

0 1
S -1.698267 0.599218 -1.839148
O 0.470248 -1.011840 1.055329
O 5.567577 3.216035 0.989292
O -2.802236 -0.385581 -2.535464
O -0.975122 1.760956 -2.723417
N -0.305357 -0.314497 -1.091760
N 3.228705 1.538602 0.581914
C 1.786911 -0.514778 0.547645
C 2.052280 -0.924929 -0.915015
C 0.937796 -0.433614 -1.887942
C 1.856178 1.015224 0.781999
C -0.524631 -1.272187 -0.006983
C 4.093856 1.381146 1.780207
C 3.260061 2.947575 0.109266
C -0.506041 -2.750928 -0.442981
C 5.531164 1.819721 1.453970
C 4.708198 3.363502 -0.198112
C -2.525502 1.360062 -0.326048
C 0.113069 -3.732570 0.368057
C -1.171375 -3.144285 -1.631352
C -1.930028 2.487734 0.260963
C -3.741010 0.810351 0.108981
C 0.083980 -5.093413 -0.012712
C -1.199649 -4.505757 -2.008616
C -0.570706 -5.484170 -1.203747
C -2.586882 3.077400 1.361439
C -4.376360 1.417794 1.215403
C -3.808816 2.548414 1.859697
C -4.486169 3.175021 3.064034
H 2.527922 -1.014527 1.199925
H 2.134154 -2.023833 -0.972321
H 3.022226 -0.488345 -1.213159
H 1.166924 0.563141 -2.301331
H 0.836587 -1.143671 -2.733141
H 1.466737 1.222693 1.806915
H 1.174796 1.510883 0.069156
H -1.498779 -1.043053 0.467147
H 4.098816 0.321762 2.097671
H 3.709629 1.991816 2.636068
H 2.836954 3.648105 0.872735
H 2.650829 3.032848 -0.810266
H 6.170218 1.791506 2.352058
H 5.954935 1.152975 0.671891
H 5.105298 2.738516 -1.027153
H 4.767481 4.429050 -0.474725
H 0.610117 -3.417318 1.290993
H -1.674873 -2.391743 -2.252128
H -1.001773 2.903714 -0.143051
H -4.180307 -0.042622 -0.418741
H 0.567703 -5.846462 0.619979
H -1.714120 -4.801213 -2.930051
H -0.593458 -6.539104 -1.500028
H -2.148090 3.961996 1.836865
H -5.327124 1.010091 1.576930
H -4.083919 2.750641 4.004276
H -4.321239 4.265862 3.100846
H -5.574217 2.991591 3.059840


