%chk=000285018.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285018

0 1
S -6.727923 -0.250049 -0.151785
O 6.348235 -0.958977 0.529777
O 6.451679 0.817958 -0.698223
N 5.834270 -0.027618 -0.069890
C -2.186917 -0.482730 -0.060121
C 1.581026 0.292510 0.035299
C -0.722356 -0.610776 -0.080091
C 0.117323 0.425164 0.064421
C -2.831623 0.389635 0.829992
C -2.958765 -1.261942 -0.944470
C 2.227866 -0.757805 0.713318
C 2.345082 1.241542 -0.672474
C 4.363260 0.083587 -0.032584
C -4.976031 -0.280933 -0.049070
C -4.227034 0.490601 0.838430
C -4.348147 -1.159679 -0.944675
C 3.616233 -0.865857 0.682776
C 3.732472 1.139272 -0.712342
C -7.286868 0.919815 1.100883
H -0.350035 -1.627729 -0.243781
H -0.251221 1.447317 0.193539
H -2.245776 0.987153 1.527823
H -2.467464 -1.943700 -1.638435
H 1.640561 -1.485917 1.273725
H 1.846663 2.056343 -1.198909
H -4.704734 1.171836 1.540074
H -4.935726 -1.763413 -1.638510
H 4.130844 -1.678356 1.207958
H 4.337422 1.867819 -1.263737
H -7.002782 0.613287 2.113924
H -8.385888 0.943512 1.052129
H -6.920745 1.935832 0.915330


%chk=000285018-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000285018

0 1
S -6.897555 -0.547072 0.319458
O 6.464761 -1.056865 -0.463935
O 6.575751 1.179643 -0.010848
N 5.911510 0.084377 -0.201328
C -2.213502 -0.556934 0.081966
C 1.614400 0.239581 0.050169
C -0.755547 -0.659085 -0.013191
C 0.157690 0.355891 0.148421
C -2.906754 0.655757 0.368252
C -3.002956 -1.729347 -0.121276
C 2.292996 -0.987224 -0.235957
C 2.410586 1.410077 0.250076
C 4.441995 0.139781 -0.114341
C -5.075516 -0.478767 0.241506
C -4.309797 0.698252 0.447509
C -4.404536 -1.697825 -0.044788
C 3.690958 -1.043460 -0.318801
C 3.811254 1.372226 0.170891
C -7.365220 1.229864 0.700355
H -0.382754 -1.668385 -0.239802
H -0.210344 1.366349 0.373775
H -2.346929 1.582840 0.532819
H -2.502210 -2.679854 -0.343103
H 1.720459 -1.906242 -0.394884
H 1.910868 2.360623 0.470554
H -4.798982 1.651449 0.670002
H -4.981191 -2.615219 -0.206659
H 4.218278 -1.976028 -0.536563
H 4.423915 2.264604 0.322765
H -6.950530 1.542999 1.670952
H -8.464622 1.233948 0.752601
H -7.033576 1.901748 -0.106290


