%chk=000194932.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194932

0 1
O 5.488449 -0.629345 -0.421411
O 5.435093 2.182718 -1.933608
O 6.502764 2.462197 0.324088
O 5.811071 -1.480619 2.549942
N 3.272051 -0.540826 -1.222619
N 1.583539 -2.061678 -1.616050
N 2.178725 0.725977 0.658583
N -1.005456 -2.011670 0.064166
N -0.063994 -0.114956 1.178220
N -11.985617 0.994016 0.054890
C 4.630686 1.557986 -0.927760
C 4.616249 0.060654 -1.323364
C 5.366243 1.619061 0.443132
C 5.767068 0.162913 0.771540
C 5.014006 -0.451127 1.957780
C 2.250461 -0.253202 -0.303692
C 2.805846 -1.675758 -1.981680
C 1.202888 -1.199084 -0.572197
C 0.012273 -1.112027 0.218800
C -4.717889 -1.196148 0.617310
C -5.787134 -0.517698 -0.249756
C -3.361485 -1.227293 -0.097081
C -7.144844 -0.480696 0.464602
C -2.299300 -1.908017 0.780767
C -8.214379 0.196050 -0.403497
C -9.571654 0.237183 0.308707
C 0.998978 0.725762 1.343443
C -10.639923 0.915071 -0.569850
H 3.630929 2.041693 -0.909275
H 5.043033 -0.133654 -2.340327
H 4.759006 2.108347 1.236375
H 6.868510 0.045957 0.904191
H 4.033559 -0.862095 1.656586
H 4.880084 0.269990 2.787733
H 5.601584 3.126705 -1.680687
H 7.114824 2.123102 -0.379204
H 3.416968 -2.120612 -2.755762
H -5.038377 -2.225146 0.871602
H -4.622995 -0.659801 1.582522
H -5.884130 -1.049994 -1.215826
H -5.467767 0.511997 -0.504086
H -3.036276 -0.194487 -0.339230
H -3.454817 -1.749017 -1.068838
H -7.048463 0.055182 1.428853
H -7.464124 -1.509126 0.721802
H 5.896467 -2.237683 1.929144
H -2.614485 -2.938169 1.062376
H -2.163147 -1.338479 1.732877
H -7.893684 1.224421 -0.661647
H -8.311269 -0.340472 -1.367628
H -0.942313 -2.687176 -0.699388
H -9.474928 0.775744 1.270645
H -9.891115 -0.789933 0.568619
H 0.883588 1.496023 2.126486
H -10.323073 1.949466 -0.830936
H -10.743205 0.373158 -1.536361
H -12.334520 0.067561 0.280200
H -11.950178 1.516255 0.924880


%chk=000194932-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194932

0 1
O 5.460422 -0.661198 -0.110787
O 5.684468 1.922758 -1.963732
O 5.919227 2.868492 0.497790
O 6.441929 -1.270219 2.501391
N 3.302585 -0.739012 -1.188861
N 1.638109 -2.220549 -1.757709
N 2.153403 0.425210 0.706334
N -1.023910 -2.230094 -0.222151
N -0.115082 -0.455559 1.080342
N -12.030884 1.254232 0.251346
C 4.649113 1.413804 -1.072081
C 4.637743 -0.127500 -1.209034
C 5.055256 1.676085 0.413887
C 5.889690 0.440354 0.805682
C 5.665374 -0.058603 2.235573
C 2.239696 -0.494788 -0.304343
C 2.881240 -1.790115 -2.026309
C 1.226838 -1.414642 -0.679104
C 0.003969 -1.375651 0.060609
C -4.753691 -1.364833 0.434023
C -5.826298 -0.537910 -0.310292
C -3.389683 -1.367409 -0.291075
C -7.191659 -0.511848 0.413081
C -2.328367 -2.205671 0.460570
C -8.262711 0.309560 -0.339819
C -9.629137 0.348716 0.381623
C 0.941729 0.368474 1.340090
C -10.700465 1.171094 -0.385839
H 3.669114 1.858692 -1.325512
H 5.107981 -0.406854 -2.167661
H 4.147051 1.769091 1.034078
H 6.963512 0.634724 0.624344
H 4.579873 -0.230142 2.395072
H 6.030214 0.691847 2.957759
H 6.194877 2.601763 -1.435198
H 5.387503 3.651516 0.783896
H 3.526889 -2.189464 -2.805994
H -5.114623 -2.408232 0.553862
H -4.623617 -0.959263 1.458869
H -5.961675 -0.948779 -1.332724
H -5.460507 0.501931 -0.439584
H -3.014603 -0.330202 -0.388065
H -3.516206 -1.762731 -1.319893
H -7.058744 -0.093568 1.432727
H -7.556342 -1.551594 0.549024
H 6.206860 -1.929768 1.798459
H -2.681112 -3.248634 0.576623
H -2.165049 -1.782162 1.466116
H -7.893517 1.347092 -0.482422
H -8.397917 -0.112535 -1.358085
H -0.878507 -2.864506 -1.010952
H -9.502431 0.780810 1.396801
H -10.004831 -0.686395 0.525876
H 0.797092 1.075925 2.162732
H -10.328143 2.203690 -0.535685
H -10.833147 0.741109 -1.398243
H -12.513640 0.352474 0.322878
H -12.030856 1.750189 1.148794


