%chk=000279417.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279417

0 1
S 1.876220 0.671253 0.190932
O 1.353064 2.968130 -0.345780
O -2.997081 0.760838 -0.541916
O 0.632613 4.430132 1.239614
O -2.910015 1.408186 1.664857
O 1.593704 -1.757682 1.163473
N -1.100440 1.703996 0.212995
C -0.150388 2.096637 1.270764
C 0.827024 0.989678 1.648004
C 0.620888 3.328155 0.755832
C -2.381222 1.282760 0.579056
C -4.378156 0.298322 -0.367542
C -4.373531 -1.120373 0.123647
C 2.078272 -1.123839 0.269381
C 2.912256 -1.604914 -0.850559
C 2.161343 4.004146 -1.005181
C -4.526002 -2.181501 -0.779718
C -4.217004 -1.383958 1.492799
C 3.887772 -2.580884 -0.583938
C 2.741135 -1.115085 -2.153135
C 1.263353 4.920106 -1.806773
C -4.532821 -3.499136 -0.312462
C -4.221816 -2.702184 1.954187
C -4.382051 -3.760469 1.053086
C 4.699923 -3.050555 -1.617638
C 3.554641 -1.595696 -3.183878
C 4.534180 -2.557396 -2.917010
H -0.735050 2.416938 2.190632
H 1.462368 1.279770 2.507822
H 0.301053 0.057305 1.956633
H -0.703655 1.410508 -0.685352
H -4.762650 0.412883 -1.398837
H -4.908185 0.987393 0.318147
H 2.737925 4.538098 -0.229783
H 2.824206 3.378146 -1.629863
H -4.634395 -1.983967 -1.844711
H -4.079622 -0.553432 2.192515
H 4.003569 -2.969441 0.429916
H 1.972947 -0.371398 -2.374324
H 1.845986 5.611162 -2.427768
H 0.595244 4.355782 -2.470152
H 0.624428 5.529714 -1.148625
H -4.652357 -4.322655 -1.014161
H -4.097929 -2.905094 3.016937
H -4.385941 -4.787313 1.414758
H 5.459734 -3.803847 -1.412558
H 3.422957 -1.219131 -4.197543
H 5.168410 -2.926489 -3.723178


%chk=000279417-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000279417

0 1
S 2.358205 0.912853 0.575869
O 0.590512 3.861897 -0.947686
O -2.560774 0.679091 -0.232875
O 1.653551 4.632900 0.982841
O -2.109232 1.231835 2.025711
O 0.580903 -1.055075 1.296104
N -0.754409 1.964254 0.263060
C 0.171193 2.682012 1.132601
C 1.219591 1.758966 1.816384
C 0.879157 3.834039 0.410883
C -1.823467 1.286748 0.798778
C -3.751604 -0.116291 0.203445
C -3.496543 -1.602646 0.068609
C 1.561573 -0.789516 0.562308
C 2.177051 -1.758944 -0.389344
C 1.252642 4.938181 -1.757011
C -4.241561 -2.376858 -0.854587
C -2.523115 -2.240390 0.881111
C 1.440990 -2.937022 -0.695353
C 3.449346 -1.551090 -0.984926
C 0.421817 6.222412 -1.723692
C -4.029524 -3.770782 -0.961942
C -2.306283 -3.630932 0.769675
C -3.061539 -4.401550 -0.147639
C 1.970568 -3.887717 -1.590432
C 3.978269 -2.510367 -1.872959
C 3.240538 -3.678639 -2.179513
H -0.409522 3.130186 1.964946
H 1.864730 2.343398 2.489932
H 0.695103 0.957878 2.365059
H -0.614047 1.986184 -0.747337
H -4.567215 0.215610 -0.459506
H -3.970126 0.166894 1.249286
H 2.266546 5.098553 -1.351036
H 1.308376 4.500454 -2.766008
H -4.990280 -1.888847 -1.491284
H -1.931344 -1.648607 1.587518
H 0.456976 -3.079848 -0.237090
H 4.029720 -0.653337 -0.745330
H 0.880460 6.976221 -2.390098
H -0.608763 6.036249 -2.071178
H 0.387160 6.641658 -0.704390
H -4.615488 -4.360186 -1.676226
H -1.558432 -4.114696 1.408747
H -2.898324 -5.482706 -0.224775
H 1.394982 -4.787891 -1.831210
H 4.963621 -2.350414 -2.323415
H 3.652914 -4.420521 -2.872427


