%chk=000090165.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000090165

0 1
O 2.008362 -0.554058 0.200806
O -4.346466 -1.347466 0.107101
N -3.418939 0.762773 0.018601
C 4.334781 -0.384136 0.242016
C 5.585167 0.502153 0.224549
C 3.062615 0.457755 0.172390
C 6.860765 -0.333417 0.293853
C 0.700681 -0.127485 0.151410
C -2.025887 0.419608 0.065667
C -0.224102 -1.194866 0.185436
C 0.276883 1.202922 0.075315
C -1.581679 -0.919772 0.142602
C -1.095042 1.471907 0.032508
C -4.497841 -0.143372 0.042311
C -5.846902 0.521925 -0.020091
H 4.351551 -1.102900 -0.602548
H 4.313676 -1.014832 1.154142
H 5.558537 1.212185 1.074965
H 5.596593 1.123672 -0.692862
H 2.938825 1.120342 1.044866
H 2.977576 1.029056 -0.766742
H 6.901340 -0.935364 1.209405
H 6.938777 -1.024490 -0.553824
H 7.752837 0.303215 0.280603
H 0.145096 -2.217824 0.244839
H 0.982935 2.025872 0.048876
H -2.309636 -1.741069 0.168444
H -1.426274 2.506772 -0.026695
H -3.619474 1.761468 -0.036658
H -6.028711 1.187608 0.833206
H -6.638290 -0.247172 0.001818
H -5.990854 1.098089 -0.942910


%chk=000090165-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000090165

0 1
O 2.022939 -0.725691 0.200341
O -4.566212 -1.345514 0.104949
N -3.455818 0.723810 0.023542
C 4.420912 -0.415480 0.244823
C 5.612950 0.569607 0.220081
C 3.074648 0.307784 0.172586
C 6.974851 -0.153355 0.297317
C 0.685644 -0.298172 0.151893
C -2.083333 0.334808 0.068481
C -0.289915 -1.324662 0.181692
C 0.272218 1.055384 0.078276
C -1.661838 -1.022713 0.140972
C -1.104620 1.359358 0.037770
C -4.596497 -0.080869 0.040891
C -5.905864 0.710457 -0.024338
H 4.495806 -1.120085 -0.605483
H 4.452451 -1.023099 1.169432
H 5.524623 1.280315 1.067288
H 5.571118 1.179221 -0.705764
H 2.945889 0.994045 1.036622
H 2.990769 0.898958 -0.764177
H 7.056660 -0.745137 1.228060
H 7.103502 -0.847708 -0.553858
H 7.814151 0.565420 0.277994
H 0.048201 -2.364021 0.238035
H 0.998621 1.872374 0.051884
H -2.412175 -1.814580 0.163917
H -1.415368 2.411178 -0.018877
H -3.620277 1.732039 -0.029492
H -6.004835 1.397055 0.837056
H -6.743793 -0.000784 -0.006364
H -5.968511 1.309155 -0.952152


