%chk=000200584.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200584

0 1
S 3.599317 -0.194954 1.069009
S 0.786384 0.006864 -3.419556
O -1.097482 0.101110 -1.754383
N -3.985533 0.300266 0.474198
N 1.024532 -0.031030 -0.699676
C -3.239368 0.208085 -0.817289
C -5.151718 -0.640785 0.524292
C -4.392697 1.715396 0.767891
C -1.757023 0.124507 -0.430191
C 1.430736 -1.327364 -0.236813
C 1.577276 1.201693 -0.215892
C 2.534256 -1.503222 0.614035
C 2.692471 1.234811 0.637433
C 0.222042 0.025633 -1.901182
C -4.658741 -2.082920 0.644987
C -4.670690 1.875135 2.262854
C 0.667388 -2.454202 -0.610024
C 0.949985 2.415307 -0.570119
C 2.863438 -2.767825 1.106686
C 3.164494 2.444491 1.151207
C 1.012875 -3.716625 -0.126155
C 1.438238 3.621181 -0.065332
C 2.102813 -3.879292 0.734963
C 2.537890 3.642484 0.798412
H -3.408517 1.064831 -1.504476
H -3.522622 -0.695824 -1.400615
H -5.755902 -0.385985 1.425470
H -5.827846 -0.536011 -0.351471
H -3.553008 2.388107 0.482274
H -5.275963 2.039845 0.176167
H -1.501703 -0.802057 0.108633
H -1.395922 1.003648 0.126162
H -4.161773 -2.429546 -0.267683
H -3.932600 -2.181290 1.463865
H -5.490091 -2.765085 0.851899
H -5.571628 1.334802 2.575185
H -3.838455 1.478656 2.861441
H -4.802521 2.929350 2.527550
H -0.185000 -2.361255 -1.282385
H 0.094701 2.432721 -1.244842
H 3.716537 -2.893465 1.777216
H 4.025340 2.459606 1.823462
H 0.422918 -4.583803 -0.425120
H 0.953406 4.555610 -0.350178
H 2.360910 -4.866787 1.111652
H 2.907753 4.587088 1.191537


%chk=000200584-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200584

0 1
S 3.422090 -0.075736 1.348939
S 1.066694 -0.074493 -3.601993
O -1.015684 0.015918 -1.957279
N -3.875755 0.242444 0.450861
N 1.109843 -0.039245 -0.844493
C -3.172681 0.173541 -0.851827
C -5.141803 -0.535903 0.492876
C -4.004344 1.630798 0.972439
C -1.668232 0.032251 -0.593721
C 1.412314 -1.312699 -0.264424
C 1.480211 1.228785 -0.293870
C 2.372146 -1.463275 0.771996
C 2.448225 1.351957 0.738967
C 0.358994 -0.032549 -2.083627
C -4.906682 -2.057287 0.546162
C -4.085927 1.692115 2.509406
C 0.736315 -2.473524 -0.728408
C 0.865693 2.413294 -0.783867
C 2.615771 -2.729189 1.343554
C 2.760229 2.616331 1.280047
C 1.007880 -3.743080 -0.177554
C 1.206273 3.679280 -0.263417
C 1.942474 -3.877742 0.870601
C 2.149132 3.788207 0.780281
H -3.362311 1.065552 -1.491411
H -3.520600 -0.706419 -1.420093
H -5.689241 -0.233216 1.403560
H -5.804208 -0.284241 -0.373367
H -3.111772 2.197612 0.645905
H -4.887590 2.151211 0.523597
H -1.443200 -0.912654 -0.071427
H -1.267896 0.882102 -0.014040
H -4.371245 -2.423824 -0.349039
H -4.304965 -2.318031 1.434056
H -5.871553 -2.595099 0.599544
H -4.972023 1.158060 2.897410
H -3.188463 1.230885 2.956665
H -4.153515 2.742117 2.849930
H 0.009978 -2.387761 -1.543622
H 0.134223 2.347289 -1.596369
H 3.350923 -2.816559 2.151328
H 3.500285 2.683000 2.085308
H 0.482569 -4.620384 -0.568819
H 0.729184 4.574210 -0.676086
H 2.153231 -4.856538 1.312341
H 2.413911 4.764389 1.198078


