%chk=000195618.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195618

0 1
S -6.461245 -2.695230 -0.094361
O 4.137891 1.225631 -1.753185
O -2.826613 3.511727 -0.533220
O -6.726458 -4.034308 0.380263
O -7.369915 -1.618030 0.202267
N 0.469219 2.134091 0.032160
N -4.906852 -2.354621 0.573725
C 2.782369 1.256535 0.221811
C 2.481056 0.166122 1.259198
C 3.671907 -0.042781 2.199556
C 1.584983 1.485286 -0.722568
C 4.031275 0.901473 -0.587035
C 4.954146 -0.276604 1.453055
C 5.116914 0.184104 0.133348
C -0.724578 2.370632 -0.831457
C 6.014427 -0.946762 2.085190
C -1.960688 2.534396 0.089473
C 6.330676 -0.038636 -0.540587
C 7.216658 -1.157289 1.408409
C -2.763444 1.263346 0.214847
C 7.378485 -0.704523 0.092924
C -2.151962 0.121003 0.754989
C -4.108022 1.210329 -0.173262
C -4.218781 -1.117683 0.479960
C -2.866867 -1.065407 0.890224
C -4.842448 0.031589 -0.040930
C -6.160032 -2.718279 -1.809225
H 3.018228 2.212577 0.759240
H 1.575926 0.447094 1.836119
H 2.227225 -0.784205 0.749276
H 3.457406 -0.889065 2.884850
H 3.798637 0.843098 2.860132
H 1.222630 0.510256 -1.118169
H 1.921810 2.073618 -1.608688
H 0.791886 3.028358 0.419790
H -0.634482 3.258673 -1.492554
H -0.881691 1.507334 -1.515455
H -1.676167 2.910164 1.099703
H 5.899335 -1.305569 3.106048
H 6.436546 0.319605 -1.569769
H 8.034765 -1.678923 1.906217
H 8.316745 -0.873310 -0.431702
H -1.103955 0.165599 1.064022
H -4.585024 2.108777 -0.578312
H -2.535529 4.413863 -0.312037
H -2.383823 -1.943559 1.308646
H -5.905344 0.039966 -0.292381
H -4.465391 -3.062728 1.175875
H -5.796013 -3.691601 -2.172737
H -5.414357 -1.978628 -2.142863
H -7.062266 -2.499004 -2.402420


%chk=000195618-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000195618

0 1
S -6.003070 -2.694407 0.924568
O 4.707450 2.331936 -0.721689
O -2.712231 3.662092 -1.224722
O -5.539846 -4.091516 1.638670
O -6.219870 -1.330136 1.789774
N 0.511709 2.073751 -0.112806
N -4.771975 -2.341222 -0.685599
C 2.808036 1.260369 0.399951
C 2.434211 -0.225625 0.617647
C 3.301672 -0.849013 1.728838
C 1.901414 1.974899 -0.624610
C 4.297859 1.403209 0.038332
C 4.787922 -0.660861 1.460018
C 5.248861 0.417236 0.644928
C -0.450408 2.653765 -1.072391
C 5.742384 -1.548690 2.012899
C -1.892036 2.683805 -0.489947
C 6.640480 0.584315 0.404165
C 7.122555 -1.374727 1.774228
C -2.634888 1.351468 -0.548046
C 7.576139 -0.302342 0.965310
C -1.964347 0.136011 -0.246074
C -4.017712 1.316993 -0.866945
C -4.047947 -1.122810 -0.590629
C -2.663939 -1.083159 -0.248512
C -4.715714 0.096800 -0.893795
C -7.612718 -3.038108 -0.028532
H 2.692873 1.775986 1.384350
H 1.362403 -0.289007 0.876142
H 2.580170 -0.781213 -0.330503
H 3.074739 -1.924857 1.846692
H 3.042943 -0.370547 2.697994
H 1.879050 1.387409 -1.563254
H 2.346628 2.962824 -0.877144
H 0.486947 2.577846 0.787523
H -0.179309 3.701708 -1.365820
H -0.437348 2.050850 -1.999153
H -1.815487 3.001093 0.579229
H 5.398443 -2.386260 2.631821
H 6.953228 1.423153 -0.226552
H 7.843981 -2.074567 2.211056
H 8.646893 -0.167954 0.778919
H -0.896849 0.175814 -0.002121
H -4.523637 2.254455 -1.109272
H -2.271176 4.547799 -1.183954
H -2.143649 -2.015862 0.005652
H -5.776850 0.069306 -1.161764
H -4.143487 -3.164409 -0.562654
H -7.404461 -3.886073 -0.693610
H -7.842621 -2.120307 -0.584509
H -8.368217 -3.272719 0.734300


