%chk=000193562.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193562

0 1
S 0.515019 -1.875613 -1.059069
O 2.331259 0.251776 -2.123121
O 0.596953 1.336454 -1.207098
O -1.953134 -0.499840 1.526937
N -1.914858 0.089079 -0.689403
N 2.161915 0.937673 1.246693
C 2.074267 -0.103952 0.199285
C 1.176269 -1.298663 0.534016
C -1.195606 -2.330822 -0.659382
C -2.177127 -1.282792 -1.178380
C 1.531167 0.579727 -1.062033
C -1.805570 0.369633 0.676978
C -1.530305 1.809087 1.003143
H 3.123585 -0.461363 -0.022222
H 1.743956 -2.110322 1.024299
H 0.351585 -1.032389 1.229741
H -1.322232 -2.458520 0.440122
H -1.396291 -3.319095 -1.116692
H -3.208753 -1.574534 -0.855222
H -2.181300 -1.259129 -2.291745
H -1.467623 0.722792 -1.360450
H 2.624478 0.581031 2.077922
H 1.240655 1.275373 1.519609
H -1.350552 1.936716 2.079312
H -0.657571 2.204595 0.452711
H -2.384750 2.450945 0.743546
H 2.028965 0.656454 -2.980497


%chk=000193562-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193562

0 1
S 0.571467 -2.390719 -0.877743
O 2.810921 0.836091 -2.073512
O 0.737047 1.191063 -1.110559
O -3.695057 -0.067415 0.988920
N -1.847528 -0.028197 -0.434288
N 2.970844 0.387730 1.068118
C 2.360603 -0.383176 -0.028965
C 1.241093 -1.285482 0.515728
C -1.275915 -2.484027 -0.432085
C -2.132155 -1.344420 -1.016611
C 1.837171 0.580977 -1.110239
C -2.664613 0.526262 0.537426
C -2.243753 1.911891 1.025397
H 3.148128 -1.003695 -0.489184
H 1.653120 -1.917470 1.316709
H 0.401415 -0.684964 0.903829
H -1.359867 -2.524453 0.666562
H -1.601980 -3.455321 -0.843440
H -3.195867 -1.564396 -0.804400
H -1.990556 -1.298872 -2.112093
H -1.007037 0.479375 -0.743242
H 3.898852 0.773065 0.880128
H 2.341593 1.030810 1.556281
H -2.147050 1.893906 2.124800
H -1.297284 2.258895 0.576731
H -3.042047 2.635081 0.782624
H 2.482856 1.521762 -2.717891


