%chk=000272322.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272322

0 1
S -2.399887 0.895773 -1.918659
O -1.612100 1.685714 -2.841644
O -3.563984 0.167705 -2.370309
O 6.993410 0.401194 0.086753
N -1.245587 -0.221645 -1.287631
N 0.862802 -1.495630 -0.008094
C -2.823982 1.849284 -0.551392
C -1.514586 -1.374767 -0.522839
C -2.092076 3.005495 -0.253792
C -3.903542 1.483054 0.260970
C -0.449577 -2.015354 0.192259
C -3.505670 3.414170 1.675112
C -2.427249 3.785246 0.852146
C -4.244631 2.257482 1.369132
C -2.816511 -1.904169 -0.424462
C -0.730545 -3.147182 0.975086
C -3.065000 -3.022266 0.368885
C -3.875397 4.251836 2.852304
C -2.029584 -3.645222 1.072775
C 3.147416 -1.083296 0.606931
C 1.802831 -1.624706 0.878904
C 4.075577 -0.999016 1.667799
C 3.525466 -0.654945 -0.675748
C 5.704750 -0.072190 0.155029
C 5.350699 -0.496153 1.455541
C 4.804775 -0.147174 -0.914916
C 7.479627 0.864986 -1.196928
H -0.240983 -0.071929 -1.503180
H -1.256308 3.305940 -0.897005
H -4.490506 0.588126 0.024380
H -1.854090 4.683073 1.076200
H -5.085485 1.966064 1.995872
H -3.636647 -1.477731 -1.012762
H 0.078304 -3.651907 1.503004
H -4.078157 -3.420608 0.429194
H -4.322711 3.662780 3.665388
H -3.013655 4.783484 3.279910
H -4.614808 5.017454 2.567037
H -2.232747 -4.520922 1.683604
H 1.693654 -2.114238 1.861427
H 3.789631 -1.329291 2.667301
H 2.807867 -0.721228 -1.499136
H 6.079793 -0.421054 2.258897
H 5.078152 0.177359 -1.913245
H 6.886878 1.716774 -1.542484
H 7.480063 0.045590 -1.921463
H 8.504309 1.172539 -0.949849


%chk=000272322-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000272322

0 1
S -1.335358 1.300429 -0.670839
O -0.077437 2.295555 -0.984180
O -1.989335 0.337584 -1.816442
O 7.445716 -0.400285 -0.945966
N -0.722858 0.268846 0.938760
N 1.201070 -1.603029 0.489430
C -2.741532 2.330859 0.034097
C -1.100209 -1.093124 0.956697
C -2.423802 3.467854 0.794586
C -4.057183 1.936975 -0.252918
C -0.083752 -2.102420 0.785071
C -4.843905 3.886471 1.039187
C -3.491540 4.241900 1.296095
C -5.108520 2.729996 0.260558
C -2.445127 -1.476505 1.200369
C -0.453753 -3.473119 0.866969
C -2.791127 -2.838235 1.268946
C -5.977781 4.746933 1.566354
C -1.794503 -3.836163 1.101251
C 3.611544 -1.762393 0.221729
C 2.313009 -2.285801 0.645968
C 4.797499 -2.513330 0.475830
C 3.728161 -0.513598 -0.452690
C 6.151575 -0.787128 -0.590537
C 6.054496 -2.036287 0.078066
C 4.981125 -0.023711 -0.857596
C 7.613411 0.880833 -1.643587
H 0.312010 0.316873 0.771762
H -1.379859 3.743048 0.973461
H -4.244662 1.055626 -0.875393
H -3.272549 5.134389 1.893960
H -6.145885 2.447103 0.048292
H -3.199661 -0.696475 1.346959
H 0.299057 -4.253285 0.706696
H -3.830754 -3.129375 1.452431
H -6.945147 4.218686 1.519943
H -5.802121 5.048799 2.614442
H -6.076618 5.675579 0.972118
H -2.071186 -4.895303 1.145476
H 2.328816 -3.288079 1.123822
H 4.724904 -3.478681 0.992316
H 2.816824 0.057424 -0.658125
H 6.971569 -2.601499 0.267748
H 5.040794 0.937132 -1.376752
H 7.261130 1.724443 -1.020091
H 7.077998 0.881685 -2.611965
H 8.695456 0.971305 -1.816008


