%chk=000186503.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186503

0 1
S -2.080926 -1.636975 -0.415731
O -2.389005 -1.395741 -1.809857
O -2.575071 -2.819521 0.260669
O 4.444094 -0.358262 -0.264088
O 4.530723 -2.151579 1.108593
N -2.675008 -0.303621 0.474530
C -3.165438 0.905371 -0.243767
C -2.058469 1.952433 -0.265044
C -4.424110 1.471033 0.421603
C -0.359000 -1.547214 -0.183096
C -1.678029 2.518727 -1.490536
C -1.420447 2.360352 0.914406
C 0.278908 -2.533461 0.575028
C 0.373091 -0.504159 -0.752754
C 1.661586 -2.477970 0.768061
C 1.758496 -0.440499 -0.563437
C 2.396726 -1.428013 0.196729
C -0.672345 3.488403 -1.532789
C -0.412814 3.327886 0.868028
C -0.038105 3.894508 -0.354488
C 3.868955 -1.402245 0.428462
C 5.884999 -0.214961 -0.133059
H -3.423660 0.620278 -1.307623
H -3.119537 -0.464908 1.382405
H -4.251716 1.757079 1.465952
H -5.250712 0.750742 0.401743
H -4.766052 2.374143 -0.101396
H -2.165217 2.205522 -2.413972
H -1.705499 1.915230 1.866370
H -0.302022 -3.353493 1.016910
H -0.124815 0.270294 -1.347738
H 2.174506 -3.242655 1.358911
H 2.342183 0.372707 -1.003987
H -0.384065 3.928636 -2.486067
H 0.080605 3.641291 1.786571
H 0.743995 4.650312 -0.388417
H 6.092513 0.660929 -0.756659
H 6.378819 -1.115755 -0.511673
H 6.143264 -0.044144 0.916908


%chk=000186503-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186503

0 1
S -2.123791 -1.554416 -0.719383
O -2.351010 -1.020041 -2.245282
O -2.627758 -3.026629 -0.232729
O 4.581878 -0.318188 -0.241087
O 4.440889 -1.926802 1.438226
N -2.939805 -0.367997 0.499504
C -3.341776 0.937211 -0.118334
C -2.134191 1.863448 -0.250854
C -4.431647 1.541027 0.804978
C -0.283705 -1.410394 -0.327112
C -1.901117 2.558884 -1.461730
C -1.257154 2.069204 0.843867
C 0.228981 -2.249223 0.675864
C 0.491568 -0.514518 -1.078813
C 1.609426 -2.169360 0.948528
C 1.871692 -0.447417 -0.794809
C 2.428858 -1.268362 0.219263
C -0.814650 3.457199 -1.576310
C -0.171141 2.963540 0.731652
C 0.052081 3.663652 -0.478365
C 3.885445 -1.230977 0.553494
C 6.037500 -0.226158 0.023377
H -3.779126 0.778277 -1.126220
H -3.762602 -0.921910 0.816850
H -4.049432 1.664372 1.833073
H -5.333622 0.901143 0.833557
H -4.725148 2.534791 0.425737
H -2.562819 2.387089 -2.319213
H -1.418337 1.504149 1.768889
H -0.426268 -2.950261 1.201749
H 0.034417 0.100534 -1.859521
H 2.070836 -2.797017 1.717228
H 2.519733 0.235508 -1.349164
H -0.643425 3.989265 -2.518922
H 0.503589 3.112733 1.582236
H 0.894832 4.358812 -0.565146
H 6.403827 0.530381 -0.684126
H 6.518150 -1.203078 -0.152321
H 6.216223 0.082229 1.067071


