%chk=000198865.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198865

0 1
O 0.596936 1.328556 -0.257013
O -2.030872 3.577551 -0.922598
O 5.948941 0.249467 0.518871
N -5.394783 0.308305 -0.176297
N -1.870491 1.291435 -1.045889
C -4.003325 0.760362 0.133864
C -5.487780 -1.187387 -0.230549
C -6.409713 0.932538 0.719361
C -3.324096 1.067221 -1.221405
C -6.750910 -1.609712 -0.982542
C -6.310002 0.580994 2.206370
C -1.357299 2.561961 -0.857731
C 0.153194 2.659491 -0.619157
C 1.961132 1.134630 -0.080434
C 2.941242 2.135374 -0.153785
C 2.279973 -0.204405 0.199613
C 4.597703 0.441321 0.336458
C 4.271592 1.784061 0.055873
C 3.613034 -0.555528 0.411100
C 6.417414 -1.104099 0.818562
C 7.917190 -0.924947 0.949809
H -3.416572 0.018366 0.712686
H -4.012636 1.686831 0.749625
H -4.595955 -1.569569 -0.775520
H -5.470889 -1.655713 0.777695
H -7.413121 0.645403 0.331280
H -6.333018 2.035766 0.584473
H -3.473398 0.234381 -1.942294
H -3.792986 1.973517 -1.676274
H -6.731197 -2.679474 -1.213422
H -6.845477 -1.062164 -1.930391
H -7.659110 -1.408439 -0.403688
H -7.090957 1.091125 2.781185
H -5.346600 0.877768 2.634137
H -6.428954 -0.494417 2.378324
H -1.281265 0.471064 -0.906988
H 0.363385 3.355209 0.214660
H 0.665582 2.993583 -1.540114
H 2.685297 3.169840 -0.366432
H 1.488386 -0.948921 0.250457
H 5.067087 2.526498 0.008516
H 3.865855 -1.588697 0.628672
H 5.942965 -1.438571 1.756843
H 6.137376 -1.764570 -0.019708
H 8.415652 -1.873470 1.177884
H 8.164375 -0.208164 1.745803
H 8.352695 -0.523269 0.023807


%chk=000198865-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198865

0 1
O 0.706143 0.995773 -0.350721
O -2.105886 3.271721 -0.747279
O 6.245435 0.449728 0.591638
N -5.569016 0.355541 -0.173630
N -1.869609 0.945502 -0.863772
C -4.158514 0.669603 0.142778
C -5.849618 -1.099776 -0.222564
C -6.563229 1.178375 0.558976
C -3.289277 0.675785 -1.144179
C -7.163050 -1.443175 -0.950750
C -6.689747 0.904233 2.083421
C -1.396092 2.219744 -0.684438
C 0.108148 2.334856 -0.405203
C 2.097137 0.907183 -0.111239
C 2.943930 2.028788 0.073778
C 2.633352 -0.397734 -0.061527
C 4.861582 0.525258 0.355434
C 4.319451 1.831181 0.305514
C 4.010357 -0.595406 0.170804
C 6.856964 -0.891270 0.651765
C 8.347178 -0.686372 0.911153
H -3.714847 -0.038988 0.883617
H -4.099706 1.679759 0.585978
H -5.012947 -1.577893 -0.767354
H -5.858946 -1.562554 0.797396
H -7.550416 1.040966 0.079616
H -6.289585 2.238575 0.401164
H -3.365663 -0.294213 -1.667349
H -3.675653 1.461805 -1.814718
H -7.266914 -2.538949 -1.055734
H -7.169359 -0.988787 -1.957240
H -8.049407 -1.077156 -0.401898
H -7.423401 1.597208 2.536039
H -5.722010 1.052049 2.597526
H -7.032041 -0.127090 2.286540
H -1.191852 0.184412 -0.769277
H 0.246012 2.867733 0.556162
H 0.565407 2.938292 -1.214321
H 2.553004 3.049793 0.040829
H 1.964753 -1.252100 -0.206371
H 4.990711 2.682965 0.450593
H 4.400636 -1.616483 0.204490
H 6.384101 -1.477789 1.467020
H 6.685437 -1.420348 -0.308949
H 8.861255 -1.663186 0.966589
H 8.506206 -0.151750 1.863040
H 8.805187 -0.094709 0.100347


