%chk=000208532.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208532

0 1
S 0.083846 2.456225 0.968942
O 3.296988 -2.310946 -1.709386
O 1.183831 2.437244 0.014586
O -0.546217 3.735466 1.254101
O -3.852818 -1.541337 -0.686151
N 2.948320 -0.352700 0.349245
N 0.623291 1.917584 2.505396
C 3.394258 0.792675 1.210656
C 3.799889 -1.567396 0.571763
C 3.005482 0.048280 -1.097155
C 2.829713 0.651843 2.632040
C 3.275104 -2.702240 -0.321802
C 2.517936 -1.121487 -1.961125
C 1.291928 0.609154 2.678200
C -1.093766 1.298534 0.507314
C -2.443038 1.531686 0.794071
C -0.711241 0.127951 -0.171869
C -3.423460 0.612971 0.418559
C -1.661194 -0.804889 -0.556497
C -3.021306 -0.552210 -0.256277
C -5.297402 -1.404513 -0.451917
C -5.861288 -2.666998 -1.069193
H 4.498530 0.897063 1.256087
H 3.008084 1.743275 0.757024
H 3.722374 -1.858770 1.639857
H 4.875238 -1.388175 0.355806
H 4.022111 0.356621 -1.420749
H 2.339474 0.938984 -1.229896
H 3.220122 -0.272972 3.101491
H 3.210815 1.486539 3.251390
H 2.246555 -2.995917 -0.049166
H 3.940993 -3.582440 -0.314266
H 2.696423 -0.947671 -3.036957
H 1.453147 -1.352543 -1.783891
H 0.918775 -0.114898 1.917012
H 0.971299 0.206815 3.669281
H 0.957611 2.626631 3.165781
H -2.739178 2.451981 1.315040
H 0.350592 -0.050268 -0.399726
H -4.464603 0.810294 0.646610
H -1.391548 -1.718647 -1.081621
H -5.465397 -1.343879 0.636802
H -5.643073 -0.486044 -0.956370
H -5.442022 -3.566978 -0.596575
H -5.615824 -2.734631 -2.139080
H -6.952356 -2.708269 -0.968883


%chk=000208532-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208532

0 1
S 0.093303 2.513444 0.868992
O 3.534870 -2.280787 -1.754850
O 1.265577 2.479053 -0.272359
O -0.640699 3.926210 1.209002
O -4.003699 -1.633070 -0.712168
N 3.082855 -0.283388 0.323589
N 0.606634 1.905842 2.537299
C 3.473880 0.790403 1.276355
C 3.716803 -1.593708 0.627372
C 3.387543 0.111834 -1.082324
C 2.847530 0.620121 2.676953
C 3.226968 -2.658860 -0.367683
C 2.919383 -0.976530 -2.058595
C 1.301222 0.603763 2.693675
C -1.182564 1.227383 0.412234
C -2.509291 1.458760 0.803523
C -0.782388 0.099638 -0.330851
C -3.493667 0.515800 0.439720
C -1.764498 -0.840312 -0.686309
C -3.117921 -0.637062 -0.302586
C -5.435539 -1.490314 -0.360150
C -6.151805 -2.708736 -0.934058
H 4.586838 0.846638 1.385885
H 3.134419 1.746597 0.838567
H 3.448967 -1.910658 1.652622
H 4.832976 -1.524522 0.570386
H 4.485125 0.274514 -1.224496
H 2.859921 1.058897 -1.296194
H 3.199106 -0.324238 3.139021
H 3.220311 1.434217 3.331933
H 2.128601 -2.795284 -0.251348
H 3.738267 -3.622094 -0.203914
H 3.223530 -0.740256 -3.091482
H 1.811628 -1.074234 -2.016020
H 0.939844 -0.083394 1.907102
H 0.942029 0.200123 3.661913
H 1.044869 2.711057 3.017134
H -2.765746 2.364093 1.363329
H 0.266053 -0.033117 -0.618146
H -4.532186 0.687879 0.733829
H -1.511600 -1.735565 -1.261574
H -5.536629 -1.443464 0.743237
H -5.825409 -0.548195 -0.795979
H -5.745571 -3.639391 -0.503106
H -6.032107 -2.751503 -2.029748
H -7.230735 -2.656585 -0.701232


