%chk=000197811.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197811

0 1
S -1.909040 -2.082829 0.000342
O -3.452333 1.406471 0.000162
O 3.696741 0.914644 -0.000155
O 3.441059 -1.234925 -0.001082
N -3.168408 -0.873010 0.000281
N 3.013166 -0.093637 -0.000017
C -1.206790 0.434488 -0.000086
C -0.649000 -0.861357 0.000045
C 0.722010 -1.067027 0.000082
C -0.386483 1.559696 -0.000172
C 1.533358 0.080760 -0.000018
C -2.704705 0.455168 -0.000191
C 1.003041 1.378846 -0.000175
H 1.171945 -2.065818 0.000216
H -0.824587 2.562649 -0.000302
H 1.678637 2.243082 -0.000285
H -4.149613 -1.130600 0.000656


%chk=000197811-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197811

0 1
S -1.928294 -2.180118 0.000058
O -3.480804 1.461902 0.000613
O 3.743793 0.967653 -0.000165
O 3.473762 -1.299124 0.000102
N -3.169211 -0.866924 0.000450
N 3.012735 -0.093937 -0.000271
C -1.224917 0.428223 -0.000275
C -0.660715 -0.871070 -0.000219
C 0.730229 -1.075139 -0.000206
C -0.390007 1.567382 -0.000250
C 1.530226 0.084969 -0.000266
C -2.712638 0.458554 -0.000492
C 1.005991 1.402039 -0.000281
H 1.202389 -2.061082 -0.000127
H -0.853997 2.559024 -0.000316
H 1.692883 2.251232 -0.000325
H -4.162426 -1.106984 0.001269


