%chk=000284665.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284665

0 1
S 0.932575 0.913421 -0.083895
O 0.463872 2.219131 0.335819
O 0.601187 0.410998 -1.406219
O -4.634650 2.553345 -0.171081
O -1.583607 -4.466186 0.844509
N 0.361208 -0.201538 1.115398
N -2.390609 -3.326941 0.796147
C 0.561186 -1.645154 0.838697
C -0.933623 0.145294 1.748778
C -0.378268 -2.232637 -0.225825
C -2.141241 0.143349 0.832070
C -2.581489 -1.034277 0.185099
C -1.793913 -2.287018 0.283956
C 2.645420 0.806116 0.116894
C -2.860225 1.324462 0.673029
C -3.749000 -1.016994 -0.587963
C -4.028986 1.319708 -0.117807
C -4.488988 0.157766 -0.747828
C 3.428586 0.219399 -0.883916
C 3.254878 1.325191 1.263655
C 4.812402 0.138650 -0.736049
C 4.639529 1.247738 1.419068
C 5.428341 0.652164 0.419703
C 6.910354 0.582147 0.574606
C -5.817514 2.692070 -0.995141
H 0.436200 -2.203779 1.797383
H 1.620756 -1.799856 0.531440
H -0.806272 1.155405 2.218219
H -1.125052 -0.561305 2.593217
H -0.034712 -3.249666 -0.511089
H -0.334583 -1.624198 -1.163643
H -2.529003 2.261734 1.123163
H -4.087972 -1.934753 -1.072829
H -5.389884 0.152574 -1.350555
H 2.951909 -0.172865 -1.791264
H 2.648693 1.798768 2.042803
H 5.416004 -0.316388 -1.518908
H 5.107745 1.654478 2.313272
H 7.222136 0.516821 1.626394
H 7.348914 -0.281980 0.056378
H 7.386453 1.482933 0.154783
H -2.212304 -5.158251 1.233435
H -6.623076 2.059141 -0.612957
H -5.581271 2.469794 -2.039843
H -6.056006 3.755989 -0.864903


%chk=000284665-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000284665

0 1
S 1.025937 0.972171 -0.183435
O 0.540055 2.455167 0.286826
O 0.752559 0.441472 -1.709510
O -4.828111 2.596156 -0.199816
O -1.660706 -4.567910 0.562172
N 0.369680 -0.180285 1.159333
N -2.528906 -3.373321 0.617489
C 0.552741 -1.616032 0.832772
C -0.958798 0.266807 1.660515
C -0.421230 -2.251725 -0.198193
C -2.192651 0.193121 0.755874
C -2.679847 -1.033521 0.202743
C -1.870307 -2.285905 0.252445
C 2.878638 0.799969 0.115455
C -2.945969 1.370802 0.587977
C -3.928962 -1.037192 -0.461780
C -4.186286 1.355060 -0.097688
C -4.692928 0.138960 -0.615277
C 3.641166 0.137074 -0.858272
C 3.433270 1.385636 1.264871
C 5.036127 0.045753 -0.652744
C 4.829144 1.280858 1.446702
C 5.648238 0.613197 0.495660
C 7.152117 0.541159 0.686916
C -6.103792 2.641522 -0.919057
H 0.480405 -2.150609 1.800226
H 1.590748 -1.746483 0.473270
H -0.829897 1.306149 2.004864
H -1.125053 -0.362905 2.559730
H -0.081681 -3.285720 -0.382272
H -0.350325 -1.680340 -1.141649
H -2.582732 2.324743 0.983289
H -4.295565 -1.981200 -0.876810
H -5.650378 0.097194 -1.142353
H 3.154565 -0.272216 -1.750010
H 2.799201 1.909606 1.986474
H 5.655512 -0.468576 -1.396530
H 5.288927 1.725610 2.336832
H 7.425602 0.513012 1.756017
H 7.582011 -0.349998 0.197917
H 7.645490 1.428785 0.245599
H -2.287233 -5.279484 0.851168
H -6.868895 2.012956 -0.422749
H -5.982867 2.318884 -1.971389
H -6.412915 3.696399 -0.887402


