%chk=000276736.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276736

0 1
S 3.640743 1.471546 -0.196596
N -2.290705 -0.797919 -0.063844
N -1.097010 -0.055610 -0.083661
N 0.394243 1.700206 -0.088954
N 0.583815 -1.944674 -0.181367
N 2.884248 -1.108123 -0.233972
C -3.183429 -0.456612 -1.230941
C -3.107026 -0.515206 1.172794
C -4.277278 0.510058 -0.739356
C -4.228291 0.472644 0.799267
C 0.179743 -0.632614 -0.137549
C -0.900169 1.368645 -0.056052
C 1.100756 0.490261 -0.139888
C 2.478325 0.175459 -0.190721
C 1.924083 -2.108256 -0.227461
C 5.236994 0.641195 -0.266393
H -3.616718 -1.430323 -1.555044
H -2.618144 -0.059935 -2.095315
H -2.487382 -0.160248 2.017829
H -3.520435 -1.504191 1.475934
H -5.269237 0.206157 -1.116000
H -4.107977 1.532417 -1.118323
H -4.033503 1.475637 1.215884
H -5.194806 0.149425 1.223024
H -1.734791 2.055041 -0.013457
H 2.307935 -3.141227 -0.264041
H 6.018886 1.410284 -0.272896
H 5.337280 0.022027 -1.168489
H 5.392851 -0.019565 0.597488


%chk=000276736-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000276736

0 1
S 3.677647 1.593086 -0.138310
N -2.289259 -0.816524 0.066882
N -1.097213 -0.037597 0.036946
N 0.357272 1.744409 0.115462
N 0.555406 -1.882852 -0.257868
N 2.860740 -1.036011 -0.334012
C -3.142612 -0.648620 -1.156117
C -3.189351 -0.496524 1.224706
C -4.108200 0.533743 -0.850970
C -4.291274 0.494466 0.702721
C 0.188209 -0.582208 -0.103473
C -0.928540 1.360280 0.159639
C 1.072730 0.543651 -0.056582
C 2.458094 0.256544 -0.181867
C 1.906616 -2.024513 -0.364165
C 5.259070 0.591761 -0.339283
H -3.706772 -1.590752 -1.282321
H -2.507031 -0.505897 -2.043359
H -2.593960 -0.101486 2.062831
H -3.647740 -1.446504 1.551610
H -5.066619 0.429247 -1.387427
H -3.655576 1.489986 -1.170192
H -4.177110 1.500258 1.143979
H -5.296428 0.130461 0.976803
H -1.770712 2.034451 0.300573
H 2.280854 -3.044795 -0.488159
H 6.073699 1.332348 -0.325726
H 5.234810 0.046006 -1.292276
H 5.356252 -0.119916 0.491853


