%chk=000180915.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180915

0 1
S 1.794759 -0.922047 -0.620598
S -1.080557 -1.350750 -0.980075
O 2.723451 0.253229 -0.703445
O -0.357413 -2.649568 -0.841946
O -1.283072 1.245979 -1.498775
N 0.840379 2.075606 -1.107269
C 0.155961 -0.158376 -0.295298
C -0.153051 1.107282 -1.035065
C 2.089596 -1.632883 0.984021
C -2.283360 -1.286978 0.325433
C 0.708342 3.359028 -1.734794
C 1.582727 -2.901520 1.261545
C -3.145703 -0.191335 0.378107
C 2.893231 -0.957270 1.903909
C -2.408273 -2.350959 1.218282
C 1.873298 -3.497944 2.493919
C -4.150310 -0.160407 1.350890
C 3.181763 -1.556341 3.133615
C -3.415018 -2.316954 2.188884
C 1.877967 4.144925 -1.823053
C -0.514047 3.847068 -2.224453
C 2.669484 -2.825846 3.427341
C -4.283737 -1.221652 2.253788
C 1.806652 5.414275 -2.394108
C -0.561325 5.121848 -2.793350
C 0.590146 5.908944 -2.879360
H 0.015523 0.009466 0.794507
H 1.817190 1.819161 -0.802105
H 0.957189 -3.430867 0.526082
H -3.038139 0.640081 -0.330830
H 3.302824 0.027821 1.657431
H -1.726613 -3.204899 1.155902
H 1.482155 -4.487979 2.721704
H -4.828770 0.689763 1.403288
H 3.806902 -1.038291 3.858562
H -3.522511 -3.141853 2.890929
H 2.829992 3.765245 -1.455443
H -1.418960 3.234702 -2.169382
H 2.895469 -3.293269 4.385473
H -5.068370 -1.195264 3.009737
H 2.707103 6.023959 -2.464104
H -1.509243 5.501592 -3.174241
H 0.543469 6.899981 -3.323455


%chk=000180915-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180915

0 1
S 1.813855 -0.940672 -0.744354
S -1.270390 -1.439319 -1.163109
O 2.815711 0.427998 -0.848213
O -0.427066 -2.877988 -0.932553
O -1.535461 1.531973 -1.176812
N 0.773456 2.054920 -1.271990
C 0.002288 -0.123528 -0.412850
C -0.297403 1.253183 -1.006190
C 2.143455 -1.533395 1.032073
C -2.546187 -1.465237 0.262037
C 0.767042 3.378461 -1.796936
C 1.506429 -2.696312 1.503813
C -3.391080 -0.363328 0.494691
C 3.087035 -0.804963 1.775181
C -2.631673 -2.669628 0.980848
C 1.829218 -3.133486 2.810601
C -4.358618 -0.482136 1.521133
C 3.391624 -1.257488 3.080123
C -3.605767 -2.769065 2.001362
C 2.037177 3.979080 -2.016472
C -0.419866 4.100200 -2.097945
C 2.764641 -2.416971 3.594949
C -4.465587 -1.678196 2.270256
C 2.120456 5.287424 -2.531468
C -0.317433 5.410718 -2.612623
C 0.942846 6.012649 -2.832012
H -0.137082 -0.160916 0.680028
H 1.724075 1.600110 -1.101146
H 0.781553 -3.221839 0.869000
H -3.280609 0.555429 -0.089939
H 3.560920 0.076443 1.327340
H -1.951757 -3.492760 0.730211
H 1.350126 -4.033632 3.210504
H -5.025818 0.360747 1.730972
H 4.121028 -0.710340 3.686894
H -3.696198 -3.696626 2.576892
H 2.948618 3.413802 -1.788179
H -1.392265 3.633223 -1.931559
H 3.008959 -2.764762 4.604787
H -5.220887 -1.761223 3.059624
H 3.103899 5.739787 -2.699498
H -1.234164 5.964327 -2.844995
H 1.008002 7.030040 -3.232278


