%chk=000210434.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210434

0 1
S -6.916276 -0.044463 0.699021
O 4.267251 2.695611 -0.443467
O -5.449289 -2.558507 0.396754
N -1.136379 -0.881045 -0.182346
N 1.332193 0.633967 -0.295326
C -1.122094 0.602894 0.030590
C 0.157614 -1.473950 0.288255
C 0.038198 1.222999 -0.773151
C 1.321369 -0.850613 -0.508367
C -2.315997 -1.516347 0.488353
C 2.505675 1.269358 -0.969937
C -3.386673 -1.784940 -0.600210
C 3.567139 1.553688 0.120324
C -3.237278 -3.178352 -1.206782
C 4.516178 0.393834 0.326106
C -4.776029 -1.622647 0.019032
C -5.287628 -0.248825 0.148536
C 4.305885 -0.498126 1.386825
C 5.597545 0.198677 -0.544407
C 5.131071 3.376448 0.484924
C 5.172113 -1.579638 1.571591
C 6.462963 -0.881306 -0.354885
C -4.706732 0.969207 -0.087217
C 6.250795 -1.772499 0.702514
C -5.589325 2.071505 0.176669
C -6.826547 1.677423 0.608386
H -1.025192 0.885483 1.102074
H -2.092127 1.017803 -0.337001
H 0.129268 -2.568007 0.095579
H 0.329422 -1.328352 1.376878
H 0.065360 2.318866 -0.592292
H -0.132888 1.065264 -1.860418
H 1.230524 -1.131100 -1.580786
H 2.285894 -1.263012 -0.138529
H -2.735321 -0.889745 1.304898
H -2.035699 -2.477680 0.970430
H 2.941958 0.657005 -1.785629
H 2.236806 2.243405 -1.439877
H -3.263976 -1.033169 -1.423671
H 3.085773 1.864673 1.075375
H -2.212398 -3.337789 -1.563987
H -3.913386 -3.319397 -2.058198
H -3.475844 -3.965196 -0.478340
H 3.464739 -0.351041 2.063709
H 5.756370 0.904410 -1.361655
H 4.548802 3.793655 1.311423
H 5.911247 2.701861 0.851392
H 5.563161 4.174865 -0.129879
H 5.007409 -2.271508 2.395449
H 7.302849 -1.029376 -1.031184
H -3.681826 1.113363 -0.430037
H 6.924808 -2.613926 0.849115
H -5.282113 3.099064 0.038264
H -7.664256 2.303128 0.869613


%chk=000210434-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210434

0 1
S -6.747821 -1.404526 1.681704
O 4.964686 2.289553 -1.060074
O -4.864199 -2.940444 -0.117975
N -0.899173 -0.773680 -0.695030
N 1.634790 0.610410 -0.926685
C -0.833656 0.705737 -0.757543
C 0.340968 -1.327865 -0.092521
C 0.407895 1.160365 -1.545800
C 1.577055 -0.869918 -0.881324
C -2.120250 -1.282840 -0.036288
C 2.900605 1.157745 -1.461974
C -3.397389 -1.156801 -0.934220
C 3.860980 1.628533 -0.336654
C -3.228434 -1.925111 -2.260566
C 4.357107 0.498003 0.559029
C -4.588384 -1.699988 -0.124419
C -5.374376 -0.753440 0.686879
C 3.782142 0.280568 1.834543
C 5.380044 -0.374793 0.106005
C 5.869133 3.029441 -0.176876
C 4.209527 -0.799328 2.641436
C 5.813474 -1.449736 0.912481
C -5.250529 0.628819 0.860756
C 5.226241 -1.668371 2.182117
C -6.216344 1.191151 1.761312
C -7.087782 0.240156 2.282079
H -0.792431 1.154048 0.269011
H -1.738106 1.090553 -1.264618
H 0.278629 -2.431614 -0.112587
H 0.461210 -1.004621 0.972272
H 0.462391 2.264645 -1.532018
H 0.291499 0.831009 -2.609271
H 1.530240 -1.305231 -1.911382
H 2.486278 -1.252595 -0.387487
H -2.306260 -0.772090 0.943419
H -1.970976 -2.357946 0.178653
H 3.438241 0.426210 -2.104455
H 2.692557 2.044128 -2.089746
H -3.571717 -0.085864 -1.150800
H 3.315997 2.375446 0.282972
H -2.272774 -1.635103 -2.728860
H -4.058055 -1.708746 -2.957362
H -3.219900 -3.012159 -2.070269
H 2.991375 0.952240 2.189222
H 5.837176 -0.191605 -0.873569
H 5.322695 3.813333 0.389366
H 6.380232 2.358293 0.541860
H 6.614945 3.503905 -0.834350
H 3.754578 -0.960312 3.625539
H 6.606672 -2.116452 0.554889
H -4.487295 1.224999 0.354962
H 5.561412 -2.503501 2.807666
H -6.268026 2.252999 2.012680
H -7.911792 0.390291 2.978370


