%chk=000282272.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000282272

0 1
S -4.265466 -0.589243 -0.744345
O -3.542403 0.539483 -1.337487
O -4.992886 -1.559726 -1.519385
O 2.684477 3.654909 0.531703
O -5.791697 0.919384 -2.033465
O -5.341921 3.248984 0.894720
O 2.988790 -2.355245 0.021041
O 4.904036 2.664676 -0.301883
N -5.299410 -0.002381 0.527997
N 0.632459 -1.496834 0.766177
C -3.069928 -1.456578 0.205869
C -6.677320 0.318612 0.082954
C -4.697691 0.951985 1.488454
C 2.523183 -0.045620 0.251057
C 1.187256 -0.221192 0.660745
C 3.070330 1.277253 0.184151
C -0.764006 -1.793200 0.844099
C -1.729156 -1.086898 0.104416
C 4.750297 -0.941119 -0.630364
C 3.373903 -1.195865 -0.105712
C 5.271187 0.362062 -0.704625
C 4.448687 1.520538 -0.271514
C -3.460945 -2.528394 1.005895
C 2.281244 2.367126 0.545797
C -6.727267 1.370456 -1.043143
C -4.252984 2.318297 0.934742
C 0.402283 0.933328 1.045007
C -1.151808 -2.880037 1.658928
C 0.925088 2.188790 0.988653
C -2.495210 -3.240674 1.731348
C 5.531069 -2.025480 -1.047568
C 6.566419 0.574230 -1.191930
C 6.825034 -1.809964 -1.537393
C 7.341883 -0.514162 -1.608791
H -7.126242 -0.638381 -0.286983
H -7.291453 0.651820 0.945450
H -3.824651 0.442423 1.962073
H -5.429318 1.115703 2.315144
H -1.432145 -0.268683 -0.565025
H 1.269217 -2.316285 0.637954
H -4.511769 -2.824555 1.067580
H -6.474872 2.387040 -0.688188
H -7.713192 1.379524 -1.541551
H -3.434123 2.747080 1.537867
H -3.926801 2.270857 -0.130829
H -0.616757 0.779942 1.407410
H -0.402437 -3.434731 2.225557
H 0.359206 3.079312 1.271153
H -2.797690 -4.083854 2.353395
H 5.118209 -3.037623 -0.984667
H 6.959678 1.594426 -1.242171
H 7.428443 -2.658246 -1.862833
H 8.349987 -0.346892 -1.989493
H 3.670316 3.758047 0.209440
H -5.072525 1.590508 -2.186355
H -5.643810 3.470565 1.796625


%chk=000282272-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000282272

0 1
S -4.513550 -0.687889 -0.823735
O -3.776157 0.535651 -1.664853
O -5.428387 -1.776138 -1.599987
O 2.807511 3.810139 -0.223958
O -6.451943 1.536582 -2.122280
O -5.099072 3.184933 1.467762
O 2.932151 -2.305083 0.204110
O 5.022792 2.750051 -0.647892
N -5.554792 -0.046932 0.594260
N 0.584849 -1.302686 0.528294
C -3.121544 -1.576440 0.099092
C -6.870970 0.469384 0.109987
C -4.774734 0.669769 1.635705
C 2.533852 0.078829 0.053587
C 1.126274 -0.036372 0.337941
C 3.110557 1.383707 -0.144992
C -0.760391 -1.713508 0.609612
C -1.838257 -1.029914 -0.022009
C 4.827065 -0.935627 -0.365803
C 3.391777 -1.110364 -0.024838
C 5.383390 0.361643 -0.580681
C 4.528038 1.555982 -0.463896
C -3.426874 -2.776644 0.758812
C 2.299382 2.556546 -0.038367
C -6.901228 1.760527 -0.749877
C -4.153719 2.066280 1.360287
C 0.350059 1.168997 0.478143
C -1.035591 -2.933229 1.297102
C 0.916600 2.425283 0.295395
C -2.341117 -3.457693 1.361443
C 5.660439 -2.077454 -0.475487
C 6.757830 0.500295 -0.901302
C 7.023779 -1.932056 -0.796703
C 7.574592 -0.640744 -1.010063
H -7.334326 -0.348423 -0.472132
H -7.472526 0.617206 1.030032
H -3.957274 -0.012738 1.940010
H -5.457398 0.734223 2.508612
H -1.694663 -0.148323 -0.654059
H 1.337662 -2.042775 0.527611
H -4.447885 -3.166164 0.788464
H -6.351598 2.580749 -0.251247
H -7.960734 2.059199 -0.846895
H -3.309355 2.208435 2.070478
H -3.761330 2.115684 0.331390
H -0.700177 1.103047 0.769884
H -0.207389 -3.467297 1.775925
H 0.324884 3.337853 0.409984
H -2.518664 -4.400884 1.887750
H 5.213516 -3.061362 -0.305239
H 7.154190 1.507783 -1.059409
H 7.661871 -2.817856 -0.883019
H 8.635322 -0.533567 -1.259741
H 3.828849 3.684672 -0.445731
H -5.458681 1.426199 -2.156273
H -5.402106 3.274011 2.406498


