%chk=000241896.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241896

0 1
S -4.032081 0.788377 0.475704
O 2.773700 0.346509 1.446772
O 3.994461 1.887626 -1.126624
O 2.949573 -1.437777 -1.550475
O 5.487957 -1.937678 0.789927
N 0.917000 1.416559 0.491875
N -1.163105 2.186482 1.140810
N 0.170603 -0.650338 -0.722961
N -2.306197 -0.885343 -0.701508
N -0.925463 -2.408826 -1.864506
C 2.968404 0.921439 -0.889441
C 2.390610 1.337575 0.488127
C 3.560130 -0.499147 -0.687169
C 3.297778 -0.849087 0.798328
C 4.579093 -1.173845 1.584763
C -0.017960 0.492332 0.006837
C 0.143569 2.417436 1.200516
C -1.316253 0.996148 0.406375
C -2.445597 0.247099 0.017440
C -1.013489 -1.287158 -1.061300
C -5.159400 -0.450773 -0.241378
C -6.567132 0.007470 0.119151
C -7.610410 -0.963700 -0.432765
H 2.229396 0.948763 -1.720068
H 2.819511 2.300689 0.867732
H 4.643454 -0.560080 -0.953582
H 2.513627 -1.628102 0.903032
H 4.356374 -1.708501 2.524155
H 5.152596 -0.251939 1.815631
H 4.403849 1.739625 -2.008030
H 1.953875 -1.414815 -1.448889
H 0.631859 3.247273 1.694143
H 5.087715 -2.795243 0.531843
H -4.931667 -1.455546 0.163171
H -5.010387 -0.516888 -1.336518
H -6.684594 0.086048 1.220765
H -6.763474 1.024554 -0.281653
H -0.031319 -2.841446 -2.032143
H -1.751187 -2.969569 -2.017653
H -7.480197 -1.973771 -0.026962
H -8.625249 -0.636847 -0.176135
H -7.557973 -1.038383 -1.525336


%chk=000241896-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241896

0 1
S -4.152657 0.996477 0.485311
O 2.650819 -0.113751 1.460826
O 4.149490 1.709086 -0.783538
O 2.401569 -1.546432 -1.399357
O 5.999982 -1.636511 0.582187
N 0.879290 1.253681 0.613631
N -1.134923 2.203152 1.206576
N 0.021507 -0.736293 -0.595872
N -2.426797 -0.828997 -0.636744
N -1.122320 -2.483006 -1.665138
C 2.989964 0.801725 -0.771676
C 2.332320 1.049830 0.616262
C 3.399461 -0.707150 -0.772824
C 3.598633 -1.011325 0.732845
C 5.030082 -0.750896 1.246417
C -0.115157 0.415503 0.109183
C 0.197001 2.305036 1.275273
C -1.354885 1.016422 0.477982
C -2.529686 0.328445 0.068048
C -1.174615 -1.314907 -0.945122
C -5.284235 -0.324521 -0.282896
C -6.747788 0.079399 -0.038876
C -7.718393 -0.965545 -0.636207
H 2.306528 1.018163 -1.614795
H 2.778380 1.961875 1.053573
H 4.341117 -0.871795 -1.325558
H 3.276798 -2.045300 0.954841
H 5.054433 -0.868621 2.348280
H 5.350476 0.270400 0.986752
H 4.691163 1.533079 -1.593417
H 1.459840 -1.278605 -1.054101
H 0.740566 3.103662 1.776167
H 5.817338 -2.574394 0.843630
H -5.032165 -1.287650 0.189353
H -5.039397 -0.384677 -1.355454
H -6.933212 0.179977 1.047916
H -6.943622 1.070659 -0.491133
H -0.223570 -2.882445 -1.926913
H -1.993933 -2.928406 -1.936958
H -7.565265 -1.960630 -0.178619
H -8.768202 -0.669969 -0.459991
H -7.573932 -1.067541 -1.727860


