%chk=000203306.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203306

0 1
S 0.813589 1.754225 0.943046
N 3.329403 1.417427 0.185215
N 2.063225 -0.576374 0.923015
C 4.069882 0.919502 -1.018889
C -1.689175 0.898242 1.198115
C -2.082225 -0.107939 0.244428
C -0.387304 0.795623 1.920065
C -3.331049 0.028150 -0.418325
C 2.215049 0.665153 0.638797
C 3.103781 -1.624165 0.797892
C -2.522413 1.968464 1.451037
C 5.385506 1.696891 -1.116689
C 3.236623 1.063035 -2.297631
C -1.264713 -1.242551 -0.062154
C -4.168262 1.152956 -0.132154
C -3.769748 2.096756 0.779483
C -3.737216 -0.965067 -1.366741
C -1.676445 -2.180277 -0.975298
C 4.115212 -1.505807 1.946516
C 2.384954 -2.978637 0.814886
C -2.930428 -2.040984 -1.637500
H 4.295678 -0.174901 -0.850247
H -0.427251 1.222230 2.941431
H -0.045372 -0.259119 2.042687
H 3.200216 2.435812 0.170452
H 3.658688 -1.514971 -0.181334
H -2.239761 2.739072 2.166790
H 5.950962 1.641577 -0.176868
H 5.228415 2.758381 -1.339289
H 6.021706 1.289397 -1.910372
H 2.972956 2.105924 -2.507028
H 3.779733 0.686394 -3.171024
H 2.294775 0.502959 -2.232016
H -0.297168 -1.347635 0.441428
H -5.120765 1.241686 -0.651009
H -4.397105 2.957880 1.005039
H -4.697146 -0.846271 -1.865849
H 3.621192 -1.587553 2.922659
H 4.873308 -2.292230 1.892728
H 4.627583 -0.535658 1.928080
H 3.096668 -3.805666 0.738966
H 1.672831 -3.060918 -0.014438
H 1.810780 -3.112509 1.740665
H -1.053633 -3.041628 -1.208098
H -3.231534 -2.800274 -2.356866


%chk=000203306-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203306

0 1
S 0.798253 1.934033 0.556746
N 3.354238 1.391459 -0.062971
N 2.010999 -0.538821 0.659311
C 4.413622 0.826494 -0.940874
C -1.776981 0.901478 1.229233
C -2.181434 0.014609 0.158451
C -0.353036 0.949172 1.725277
C -3.569762 0.007496 -0.262676
C 2.222926 0.708993 0.384743
C 3.038051 -1.603268 0.790477
C -2.736740 1.727814 1.832725
C 5.484914 1.913709 -1.158302
C 3.832840 0.315890 -2.281325
C -1.258733 -0.864942 -0.502293
C -4.512392 0.873792 0.384403
C -4.102929 1.718776 1.415657
C -3.979081 -0.872809 -1.318897
C -1.690816 -1.711784 -1.527214
C 3.960153 -1.326274 2.005534
C 2.308920 -2.953239 0.939079
C -3.059726 -1.718437 -1.942113
H 4.889525 -0.023779 -0.414808
H -0.290258 1.443657 2.706670
H 0.144559 -0.039276 1.765017
H 3.286734 2.414063 -0.053171
H 3.673825 -1.660947 -0.121987
H -2.429918 2.399383 2.643978
H 5.909829 2.253371 -0.196708
H 5.056063 2.788816 -1.683877
H 6.307278 1.520244 -1.780050
H 3.417259 1.154599 -2.869369
H 4.620602 -0.175912 -2.881256
H 3.020459 -0.412363 -2.109200
H -0.204782 -0.871748 -0.198840
H -5.558843 0.859375 0.056332
H -4.823411 2.378462 1.911548
H -5.031626 -0.871070 -1.627840
H 3.358792 -1.287874 2.931996
H 4.711858 -2.130115 2.112488
H 4.487928 -0.361026 1.901728
H 3.032298 -3.785735 1.019857
H 1.652650 -3.138050 0.070167
H 1.676259 -2.944711 1.844891
H -0.974761 -2.378554 -2.021462
H -3.381604 -2.388351 -2.747476


