%chk=000215959.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215959

0 1
S 0.285633 2.100954 0.001013
O -2.194281 -1.704312 0.000086
O -0.293647 -2.913292 -0.000744
O -1.735715 3.229454 0.000628
N 3.037226 1.302660 0.000402
N -2.194068 1.012289 0.000977
C 2.406407 -1.262852 -0.000387
C 3.256908 -0.903543 1.252119
C 3.256625 -0.902703 -1.252844
C 1.234785 -0.316270 0.000067
C 3.612991 0.607688 1.222303
C 3.612710 0.608508 -1.222097
C 1.624863 1.002923 0.000463
C -0.190574 -0.498226 0.000175
C -0.829521 0.732275 0.000662
C -0.802831 -1.814623 -0.000231
C -2.605582 2.369926 0.001246
C -2.953302 -2.958906 -0.000358
C -4.077808 2.606777 0.000339
C -4.401891 -2.517489 0.000128
H 2.099575 -2.328891 -0.000710
H 4.170217 -1.519511 1.273613
H 2.692703 -1.148929 2.168083
H 2.692217 -1.147482 -2.168846
H 4.169931 -1.518653 -1.274952
H 3.218801 1.123922 2.120241
H 4.708595 0.761159 1.214990
H 4.708316 0.761977 -1.214933
H 3.218314 1.125343 -2.119599
H -2.851327 0.216700 0.000515
H -2.663684 -3.523829 -0.903710
H -2.663340 -3.524679 0.902353
H -4.566357 2.206597 -0.900830
H -4.289490 3.691128 0.023319
H -4.577317 2.166068 0.875853
H -5.075362 -3.384528 -0.000185
H -4.638295 -1.913462 0.885494
H -4.638623 -1.912566 -0.884544


%chk=000215959-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215959

0 1
S 0.444539 2.270571 0.002734
O -2.269925 -1.513072 0.000619
O -0.320120 -2.797800 -0.002392
O -2.109288 3.476267 0.004262
N 3.179597 1.246787 0.001290
N -2.123279 1.145135 0.001255
C 2.449387 -1.270034 -0.000962
C 3.334120 -0.964146 1.258158
C 3.333837 -0.961808 -1.259701
C 1.301706 -0.275086 0.000066
C 3.748655 0.554141 1.226819
C 3.748469 0.556381 -1.225581
C 1.769579 1.018838 0.001185
C -0.144292 -0.370671 0.000229
C -0.750126 0.912204 0.001402
C -0.846503 -1.655908 -0.000783
C -2.760482 2.391013 0.001888
C -3.045587 -2.788190 -0.000286
C -4.281862 2.314168 -0.005103
C -4.525973 -2.417340 0.005730
H 2.099704 -2.312637 -0.001898
H 4.227583 -1.616561 1.236727
H 2.770563 -1.198334 2.178690
H 2.770032 -1.194210 -2.180534
H 4.227267 -1.614315 -1.239747
H 3.374709 1.092641 2.112779
H 4.845783 0.677041 1.191396
H 4.845609 0.679145 -1.190044
H 3.374477 1.096555 -2.110504
H -2.676373 0.270742 0.000178
H -2.759016 -3.365650 -0.897069
H -2.753022 -3.370630 0.891304
H -4.649757 1.814663 -0.920422
H -4.688020 3.335079 0.029475
H -4.658256 1.748588 0.867163
H -5.137589 -3.337715 0.004591
H -4.788234 -1.835191 0.906676
H -4.794107 -1.829060 -0.889495


