%chk=000208153.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208153

0 1
S -3.246839 -2.343925 -1.070288
O -1.596213 1.387207 0.665581
O 2.484318 -1.144012 -0.512952
O 8.597329 -0.501167 -0.152664
N -3.190218 3.814781 0.184866
C -2.253017 0.414785 -0.152871
C -2.689973 1.053663 -1.497021
C -1.186486 -0.644261 -0.441321
C -3.428306 -0.184298 0.612340
C -3.873941 2.022104 -1.419278
C -1.554251 -1.917108 -0.890325
C -3.976955 -1.415360 0.235314
C -3.471232 3.499007 -1.256714
C 0.168802 -0.331878 -0.288211
C -3.992940 0.493666 1.701902
C -0.594312 -2.887792 -1.203412
C 1.123502 -1.306394 -0.603690
C -5.095360 -1.949747 0.877166
C -5.110741 -0.030151 2.356412
C 0.756424 -2.587145 -1.073627
C -5.670830 -1.242547 1.936862
C -4.456509 3.967139 0.962038
C -2.358963 5.050856 0.302782
C 2.986011 0.116873 0.043025
C 4.476104 -0.049455 0.042139
C 5.128589 -0.486636 -1.128229
C 5.220950 0.228383 1.193179
C 6.508961 -0.628488 -1.154350
C 6.614152 0.101610 1.189858
C 7.241886 -0.326822 0.014202
C 9.458926 -0.245580 0.982537
H -2.941544 0.241385 -2.211835
H -1.804022 1.562519 -1.928234
H -4.567737 1.720820 -0.607230
H -4.467434 1.926994 -2.351949
H -4.264555 4.148829 -1.684980
H -2.552721 3.700229 -1.851120
H 0.437349 0.655204 0.089296
H -3.540909 1.428715 2.041101
H -2.104164 2.262444 0.652860
H -0.899757 -3.878955 -1.544307
H -5.510260 -2.909110 0.568469
H 1.531255 -3.312671 -1.309247
H -5.543309 0.503042 3.200676
H -6.545559 -1.643869 2.445258
H -4.211453 4.086296 2.029520
H -5.082640 4.818208 0.656313
H -5.057937 3.046842 0.863260
H -1.391396 4.884140 -0.198551
H -2.817439 5.957001 -0.118898
H -2.140827 5.240163 1.366536
H 2.658924 0.939473 -0.619680
H 2.559627 0.245745 1.053945
H 4.533189 -0.726042 -2.012150
H 4.719977 0.549172 2.106993
H 7.034532 -0.967576 -2.044000
H 7.179041 0.326894 2.087225
H 9.388527 0.803014 1.284741
H 9.217261 -0.925893 1.804171
H 10.449915 -0.469321 0.565967


%chk=000208153-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208153

0 1
S -3.500311 -2.498683 -1.026173
O -1.736525 1.429816 0.572329
O 2.398048 -1.164740 -0.627819
O 8.588709 0.118921 0.080985
N -2.784882 3.735438 -0.120604
C -2.393909 0.346889 -0.130722
C -2.995143 0.858815 -1.495595
C -1.344310 -0.732591 -0.466024
C -3.512560 -0.276789 0.739012
C -4.077479 1.968772 -1.409314
C -1.724803 -2.015667 -0.921957
C -4.121792 -1.511344 0.396637
C -3.519796 3.410710 -1.388599
C 0.030551 -0.424053 -0.347881
C -3.968860 0.387299 1.902677
C -0.746323 -2.969048 -1.291508
C 1.009321 -1.376187 -0.714501
C -5.198531 -2.033655 1.149725
C -5.043017 -0.122005 2.664675
C 0.620040 -2.649840 -1.201544
C -5.673660 -1.327273 2.276346
C -3.715231 4.120353 0.976327
C -1.728455 4.763513 -0.318517
C 2.841593 0.144399 -0.077319
C 4.347156 0.138934 -0.004539
C 5.132252 0.475071 -1.139755
C 5.012640 -0.214261 1.191690
C 6.536247 0.458043 -1.082200
C 6.423207 -0.236839 1.272524
C 7.186290 0.101325 0.127213
C 9.310405 -0.256974 1.299011
H -3.422118 -0.011129 -2.026814
H -2.140743 1.216565 -2.104637
H -4.736685 1.792174 -0.536978
H -4.731101 1.892408 -2.300562
H -4.341940 4.144811 -1.546710
H -2.809169 3.529535 -2.227983
H 0.271095 0.566912 0.043717
H -3.437593 1.295445 2.203964
H -2.138485 2.365238 0.294935
H -1.052331 -3.964831 -1.629149
H -5.641429 -2.996308 0.872002
H 1.393576 -3.373119 -1.476126
H -5.380853 0.411123 3.560555
H -6.507261 -1.732876 2.860448
H -3.149715 4.229974 1.917874
H -4.238736 5.077547 0.758756
H -4.470250 3.330097 1.119339
H -1.000782 4.404436 -1.065794
H -2.142859 5.737599 -0.661159
H -1.193559 4.926423 0.633290
H 2.469630 0.950176 -0.742781
H 2.391280 0.281313 0.926146
H 4.634605 0.743890 -2.078915
H 4.422229 -0.483515 2.075819
H 7.149870 0.714055 -1.951127
H 6.906358 -0.513775 2.214124
H 9.081139 0.434610 2.133215
H 9.073998 -1.295376 1.602711
H 10.375758 -0.180749 1.036665


