%chk=000286600.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286600

0 1
S -1.775400 -0.798913 -1.752864
O -5.173530 -1.195236 0.690701
O -0.418155 0.583553 1.553673
O -4.083498 -1.274270 -1.303337
N -1.833552 -0.249529 -0.073932
N 1.756660 0.357801 -0.357735
C -3.131144 -0.002851 0.567387
C 0.453924 -0.076128 -0.643060
C -0.591516 0.160101 0.426468
C -3.522206 1.472979 0.498724
C 2.864970 -0.286953 -1.122289
C -0.038317 -0.564927 -1.805040
C -4.151472 -0.882489 -0.158702
C 4.174155 -0.084080 -0.400828
C -3.169941 2.242854 1.725209
C -4.101008 2.003851 -0.578384
C 4.684191 1.211417 -0.227461
C 4.887481 -1.186243 0.090508
C 5.901816 1.400177 0.430812
C 6.107460 -0.991911 0.745173
C 6.615863 0.299401 0.916215
C -6.253787 -2.006464 0.147035
H -3.056931 -0.329215 1.649865
H 2.904533 0.196910 -2.129406
H 2.669538 -1.368965 -1.305529
H 1.953627 0.465950 0.645873
H 0.498705 -0.806045 -2.705464
H -3.268415 3.327168 1.585323
H -3.805558 1.965060 2.577094
H -2.120295 2.053970 2.026769
H -4.334031 1.452184 -1.478971
H -4.372695 3.047587 -0.648468
H 4.124409 2.068718 -0.602780
H 4.496180 -2.194372 -0.034083
H 6.294879 2.406800 0.566030
H 6.661109 -1.849449 1.124459
H 7.565174 0.448274 1.427526
H -6.864577 -1.381261 -0.511201
H -6.798758 -2.307880 1.048541
H -5.846786 -2.867372 -0.394255


%chk=000286600-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000286600

0 1
S -1.714438 0.447575 -2.229647
O -4.707418 -1.227532 1.119953
O -0.593374 -0.205886 1.494707
O -4.352763 -1.267718 -1.182404
N -1.880379 0.240947 -0.441015
N 1.695239 -0.307840 -0.196509
C -3.167858 0.388102 0.255662
C 0.443270 -0.074226 -0.730463
C -0.683989 -0.031385 0.234423
C -3.804341 1.764094 -0.007737
C 2.897441 -0.440772 -1.017181
C 0.067456 0.145698 -2.039148
C -4.112800 -0.781135 -0.056130
C 4.172854 -0.301190 -0.194177
C -3.035980 2.923577 0.595194
C -4.946319 1.918780 -0.725351
C 4.298773 0.721498 0.781133
C 5.266154 -1.173075 -0.418778
C 5.496519 0.867273 1.515340
C 6.468584 -1.023878 0.309435
C 6.586874 -0.003124 1.280141
C -5.692435 -2.328003 0.967772
H -2.897382 0.313533 1.328352
H 2.867874 0.356146 -1.792642
H 2.911341 -1.409622 -1.565317
H 1.716741 -0.570134 0.792964
H 0.671188 0.132654 -2.943936
H -3.499463 3.890064 0.336532
H -2.992896 2.839510 1.698210
H -1.990095 2.931874 0.234364
H -5.478201 1.074000 -1.175700
H -5.372210 2.914419 -0.891846
H 3.456023 1.399177 0.960187
H 5.175733 -1.975031 -1.162057
H 5.580993 1.659756 2.267485
H 7.305948 -1.706282 0.125546
H 7.515969 0.111071 1.849576
H -6.520144 -2.009545 0.311888
H -6.046466 -2.528163 1.988116
H -5.202920 -3.215008 0.532654


