%chk=000281457.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281457

0 1
S -0.030555 -1.535410 0.646152
O -3.699853 2.222866 -0.490720
O -2.916132 4.292688 0.368141
O -1.222879 -3.275769 2.147522
O -3.332419 -2.806246 1.525870
N -2.716258 -4.091441 -0.982268
C 0.776017 0.010703 0.008126
C -0.189293 1.173747 0.124507
C 1.916341 0.136141 1.005115
C 1.224621 -0.255863 -1.409905
C -1.540916 1.018984 -0.287847
C -1.012145 -2.219348 -0.731471
C 0.266496 2.404973 0.606091
C -2.354871 2.118929 -0.159229
C 3.241671 0.324694 0.586207
C 2.014774 -1.389068 -1.685741
C 1.633332 0.081833 2.382282
C 0.873576 0.598981 -2.463758
C -1.883180 3.364934 0.351289
C -1.638750 -3.495663 -0.159707
C -0.574245 3.534734 0.736987
C 4.271998 0.420218 1.526205
C 2.425811 -1.664280 -2.989630
C 2.667838 0.171068 3.316675
C 1.287638 0.319122 -3.771015
C -4.097410 3.590598 -0.143353
C 3.990137 0.335528 2.892189
C 2.060454 -0.812091 -4.038631
C -2.222762 -3.156241 1.213851
H -1.929447 0.080630 -0.685182
H -0.372299 -2.438765 -1.606110
H -1.774843 -1.482616 -1.061588
H 1.312317 2.522979 0.901767
H 3.481602 0.404367 -0.474800
H 2.315643 -2.055617 -0.873178
H 0.605070 -0.014258 2.737897
H 0.278999 1.494845 -2.278125
H -0.843024 -4.288678 -0.027346
H -0.198644 4.478368 1.122268
H 5.297913 0.561422 1.189358
H 3.036384 -2.543465 -3.191304
H 2.441070 0.114909 4.380462
H 1.006100 0.991793 -4.580172
H -4.413945 4.092993 -1.066391
H -4.833539 3.532034 0.669467
H 4.794352 0.401798 3.622367
H 2.382004 -1.029018 -5.055546
H -3.563050 -3.524200 -0.962856
H -2.424493 -4.191779 -1.949625
H -1.514105 -3.012360 3.063203


%chk=000281457-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281457

0 1
S -0.532436 -1.398511 1.181845
O -3.488660 3.119958 0.827811
O -2.364366 4.942239 -0.255170
O -0.309589 -5.183808 -0.129916
O -2.346110 -4.614303 0.827358
N -2.339399 -3.485151 -2.024401
C 0.543341 -0.006495 0.302025
C -0.256951 1.310449 0.118253
C 1.685392 0.293493 1.306072
C 1.019379 -0.626477 -1.023030
C -1.579882 1.482534 0.613429
C -1.769728 -1.861569 -0.188343
C 0.400187 2.401233 -0.516755
C -2.175135 2.734143 0.445842
C 3.015080 0.527161 0.870649
C 1.948416 -1.704860 -1.001989
C 1.387993 0.467093 2.683788
C 0.485516 -0.230841 -2.275679
C -1.517931 3.805367 -0.189027
C -1.400337 -3.163471 -0.940060
C -0.219473 3.665883 -0.685721
C 4.021431 0.904299 1.788157
C 2.344922 -2.347071 -2.191344
C 2.393824 0.834398 3.602087
C 0.876207 -0.879670 -3.471837
C -3.541637 4.585141 0.583111
C 3.718427 1.055786 3.159402
C 1.811040 -1.936797 -3.437951
C -1.422360 -4.357201 0.021347
H -2.093634 0.668837 1.130969
H -1.828706 -1.020924 -0.898160
H -2.742283 -1.978705 0.321568
H 1.425704 2.271884 -0.876354
H 3.271227 0.413731 -0.187794
H 2.336003 -2.057494 -0.040766
H 0.362644 0.315525 3.038760
H -0.233010 0.593196 -2.324209
H -0.390358 -3.081862 -1.367600
H 0.297391 4.495253 -1.174767
H 5.041753 1.079479 1.428417
H 3.057072 -3.178180 -2.145987
H 2.141833 0.952712 4.661949
H 0.450736 -0.552041 -4.427392
H -4.461873 4.824220 0.028901
H -3.466727 5.115832 1.551466
H 4.499929 1.344512 3.871009
H 2.115399 -2.439416 -4.362666
H -3.326784 -3.539280 -1.768908
H -2.138480 -3.075498 -2.935733
H -0.401895 -5.970029 0.475845


