%chk=000203298.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203298

0 1
S -3.827418 0.891432 0.177226
O 1.159473 0.660559 0.178967
N -6.449951 0.588174 -0.045599
N -5.067259 -1.415613 -0.257443
C -1.170420 0.582364 0.129511
C 0.074511 -0.292927 -0.036408
C -2.425821 -0.254843 -0.037270
C 2.454105 0.200396 0.097011
C 2.830919 -1.119566 -0.176523
C 3.406297 1.217674 0.322633
C 4.198091 -1.420503 -0.223665
C 4.755184 0.886153 0.268849
C 5.157022 -0.431366 -0.003834
C -5.256596 -0.160887 -0.050103
H -1.135169 1.077013 1.125434
H -1.130079 1.414330 -0.608023
H 0.144430 -1.086942 0.725991
H 0.168890 -0.714594 -1.051227
H -2.496160 -1.073515 0.707036
H -2.489095 -0.736509 -1.034124
H 2.100006 -1.900056 -0.349793
H 3.069464 2.229554 0.531570
H 4.510613 -2.443092 -0.435454
H 5.508008 1.655775 0.439784
H 6.214724 -0.676557 -0.042924
H -7.308997 0.104296 0.174414
H -6.433790 1.537043 0.302930
H -5.846382 -2.048291 -0.405865


%chk=000203298-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000203298

0 1
S -3.972622 1.024429 0.139053
O 1.222820 0.833276 0.204508
N -6.555225 0.284493 0.086296
N -4.938523 -1.514921 -0.230010
C -1.185694 0.788490 0.148328
C 0.077154 -0.066531 -0.011187
C -2.444512 -0.064774 -0.080480
C 2.513399 0.283318 0.115029
C 2.786695 -1.078850 -0.167325
C 3.576391 1.196418 0.330460
C 4.131370 -1.514973 -0.231389
C 4.908955 0.745654 0.262993
C 5.196666 -0.613461 -0.018401
C -5.283176 -0.272513 -0.030338
H -1.194284 1.229010 1.162101
H -1.142308 1.624315 -0.574160
H 0.099109 -0.888078 0.735245
H 0.133683 -0.509131 -1.027945
H -2.541093 -0.892292 0.640265
H -2.492887 -0.488881 -1.096257
H 1.978160 -1.796319 -0.335851
H 3.334399 2.241691 0.546570
H 4.340415 -2.568536 -0.449681
H 5.726110 1.456337 0.430484
H 6.234006 -0.960328 -0.069773
H -7.380213 -0.307491 0.014863
H -6.686087 1.282559 0.241821
H -5.728107 -2.183409 -0.312119


