%chk=000219839.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219839

0 1
N -0.726848 0.759173 0.018484
N 3.989152 0.773878 -0.011009
N -0.294430 2.075427 0.032166
N 0.417033 -1.480956 -0.015289
N 2.858996 -1.307097 -0.034774
C 1.548664 0.732999 0.005695
C 0.377994 -0.108299 0.002516
C 2.811525 0.070689 -0.013300
C -2.135812 0.453900 0.012114
C 1.051752 2.079263 0.025470
C 1.673779 -2.012976 -0.034866
C -2.574452 -0.859588 0.244747
C -3.065756 1.485374 -0.226996
C 5.310396 0.086293 -0.031682
C -4.879307 -0.119480 -0.003403
C -3.942653 -1.135999 0.233010
C -4.426708 1.192029 -0.231818
C 1.790615 -3.500695 -0.053602
C 6.436692 1.110216 -0.019251
C -6.343664 -0.413832 -0.015229
H 1.628181 2.990099 0.035214
H 3.974341 1.786253 0.004117
H -1.861698 -1.670017 0.429413
H -2.723716 2.507737 -0.403692
H 5.377482 -0.598601 0.847800
H 5.366879 -0.565309 -0.936793
H -4.278165 -2.156834 0.411073
H -5.145698 1.989052 -0.415667
H 0.809416 -3.989258 -0.162973
H 2.434793 -3.836869 -0.881594
H 2.249651 -3.867736 0.878241
H 6.408698 1.772260 -0.893908
H 6.418735 1.739553 0.879504
H 7.412650 0.605330 -0.034091
H -6.791586 -0.166490 -0.988561
H -6.566565 -1.470447 0.181612
H -6.874668 0.174458 0.747021


%chk=000219839-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219839

0 1
N -0.712906 0.745922 -0.035903
N 4.012483 0.747584 -0.037069
N -0.308966 2.097964 -0.074235
N 0.416130 -1.469840 0.028611
N 2.860382 -1.299226 0.024709
C 1.552261 0.742324 -0.035697
C 0.396639 -0.100444 -0.011580
C 2.820634 0.069016 -0.015793
C -2.115063 0.441518 -0.029038
C 1.046806 2.080788 -0.074816
C 1.674463 -1.999603 0.045718
C -2.563401 -0.901019 0.004737
C -3.052675 1.504200 -0.056655
C 5.324182 0.072343 -0.018474
C -4.908851 -0.122273 -0.017155
C -3.949899 -1.164183 0.010226
C -4.429541 1.214117 -0.050611
C 1.795565 -3.502645 0.100750
C 6.458690 1.109360 -0.052257
C -6.398895 -0.416841 -0.011342
H 1.574968 3.033009 -0.102266
H 3.992620 1.766832 -0.068702
H -1.831026 -1.711522 0.026561
H -2.688769 2.533563 -0.082619
H 5.394427 -0.560193 0.886424
H 5.391488 -0.614667 -0.883019
H -4.289474 -2.206662 0.036840
H -5.147617 2.043186 -0.072702
H 0.801268 -3.967094 0.026658
H 2.441854 -3.864547 -0.717815
H 2.273310 -3.811423 1.048437
H 6.415614 1.725273 -0.969792
H 6.417237 1.781940 0.824661
H 7.436587 0.598937 -0.037088
H -6.892339 -0.016187 -0.916921
H -6.594822 -1.501971 0.025916
H -6.897664 0.045964 0.860998


