%chk=000210574.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210574

0 1
S -3.524504 2.243299 0.749494
O -0.391871 0.148013 0.057118
N 4.394242 -0.202127 0.040683
N -1.807991 1.949837 0.668504
C 3.280779 0.713615 0.451651
C 1.944120 0.062964 0.057207
C 4.580454 -1.306831 1.041289
C 5.672090 0.553086 -0.182725
C 0.781503 0.997319 0.358817
C 5.339681 -2.468485 0.398551
C 5.592166 1.345873 -1.488127
C -1.605650 0.716644 0.238516
C -2.790823 -0.107240 -0.065786
C -3.965849 0.640782 0.182019
C -2.875084 -1.422417 -0.529863
C -5.229720 0.097626 -0.024865
C -4.141677 -1.970700 -0.738655
C -5.303882 -1.218743 -0.488664
H 3.290857 0.954401 1.536054
H 3.390309 1.681558 -0.087727
H 1.960212 -0.206345 -1.020457
H 1.804016 -0.902983 0.584949
H 5.102054 -0.970357 1.963078
H 3.574588 -1.664254 1.359077
H 5.928037 1.227893 0.662166
H 6.500619 -0.187675 -0.259582
H 0.737501 1.883212 -0.296844
H 0.715428 1.304048 1.416438
H 4.875937 -2.756583 -0.555305
H 6.381048 -2.207767 0.178411
H 5.342245 -3.346584 1.051716
H 5.267046 0.700362 -2.316105
H 4.872891 2.170257 -1.426918
H 6.566719 1.767914 -1.752538
H -1.966535 -1.993969 -0.720419
H -6.131464 0.675208 0.166594
H -4.234836 -2.993804 -1.100239
H -6.279954 -1.673550 -0.661012


%chk=000210574-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210574

0 1
S -3.529727 2.199240 1.102207
O -0.456479 0.001438 0.033083
N 4.482327 -0.176660 0.063879
N -1.757941 1.783133 0.914502
C 3.289378 0.649779 0.384010
C 1.965956 -0.068586 0.032918
C 4.748810 -1.210227 1.102549
C 5.683588 0.647734 -0.243960
C 0.755593 0.776136 0.428729
C 5.547272 -2.413528 0.565983
C 5.629527 1.287798 -1.644275
C -1.671810 0.589168 0.313147
C -2.897893 -0.111335 -0.058796
C -4.046270 0.647054 0.308530
C -3.045388 -1.365981 -0.698738
C -5.349909 0.174642 0.047681
C -4.343210 -1.843072 -0.962230
C -5.484515 -1.077324 -0.591153
H 3.279330 0.955550 1.462719
H 3.347418 1.584994 -0.203403
H 1.947549 -0.272866 -1.052277
H 1.907677 -1.045394 0.548046
H 5.275222 -0.769355 1.988087
H 3.773547 -1.576728 1.472493
H 5.843682 1.441061 0.530860
H 6.566445 -0.015129 -0.197549
H 0.730544 1.752400 -0.092149
H 0.708334 0.967944 1.517706
H 5.009431 -2.878570 -0.278373
H 6.550989 -2.120229 0.208562
H 5.684988 -3.170685 1.360596
H 5.528032 0.503922 -2.414712
H 4.775023 1.980598 -1.750967
H 6.552664 1.864307 -1.841898
H -2.154525 -1.938015 -0.976093
H -6.234376 0.755064 0.328197
H -4.479574 -2.810358 -1.456902
H -6.487006 -1.464426 -0.804509


