%chk=000187285.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187285

0 1
S -5.261930 2.081192 1.738896
N 5.892051 0.049926 -0.067931
N 0.258329 0.156890 -0.543332
N -0.498527 0.294212 0.449807
N -6.593064 1.367690 0.876703
C 4.484653 -0.019837 -0.148205
C -4.697629 0.315347 -0.050664
C 3.689446 0.056727 1.026422
C 3.833929 -0.040773 -1.410422
C -4.046718 1.156828 0.885019
C 1.668913 0.107519 -0.319874
C -1.922408 0.318350 0.199752
C 2.307764 0.125376 0.938581
C 2.451333 0.026823 -1.493002
C -2.665028 1.173475 1.030548
C -3.940471 -0.533555 -0.869100
C 6.535078 -0.305820 1.224259
C 6.680871 -0.411328 -1.240439
C -2.555648 -0.527761 -0.743979
C -6.153866 0.495516 0.007064
H 4.159599 0.076226 2.007342
H 4.417033 -0.095412 -2.327246
H 1.702675 0.189955 1.847359
H 1.957433 0.016029 -2.468046
H -2.167931 1.817297 1.755873
H -4.431684 -1.183101 -1.592096
H 6.439658 -1.373226 1.480688
H 6.091331 0.292508 2.040741
H 7.606999 -0.049062 1.187734
H 6.613706 -1.497704 -1.412069
H 7.741699 -0.143631 -1.101487
H 6.337049 0.110178 -2.152186
H -1.942090 -1.172841 -1.374910
H -6.830055 -0.066814 -0.639599


%chk=000187285-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187285

0 1
S -5.350226 1.248490 2.363228
N 5.882582 -0.224126 -0.045648
N 0.239666 -0.022065 -0.585915
N -0.483722 0.347631 0.452595
N -6.702628 0.938479 1.160994
C 4.496253 -0.162657 -0.155543
C -4.707751 0.422767 -0.080215
C 3.681765 0.239467 0.961686
C 3.831624 -0.498394 -1.382865
C -4.082923 0.785625 1.156375
C 1.636345 -0.040990 -0.367428
C -1.891622 0.352576 0.206789
C 2.290564 0.297900 0.856843
C 2.436158 -0.436414 -1.476526
C -2.685903 0.754373 1.311496
C -3.895111 0.021238 -1.180223
C 6.545080 0.127456 1.220240
C 6.697104 -0.640115 -1.197600
C -2.505022 -0.013369 -1.039302
C -6.148868 0.534354 0.008295
H 4.151390 0.504873 1.912930
H 4.408278 -0.806377 -2.258659
H 1.674468 0.602881 1.708483
H 1.926062 -0.693009 -2.411198
H -2.183210 1.025278 2.244190
H -4.367090 -0.257983 -2.128965
H 6.219445 -0.531563 2.049223
H 6.339306 1.176192 1.512476
H 7.634131 0.015026 1.105835
H 6.434901 -1.662772 -1.534029
H 7.760732 -0.638288 -0.914066
H 6.571054 0.047675 -2.057354
H -1.851348 -0.316241 -1.861807
H -6.838984 0.309284 -0.812134


