%chk=000211251.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211251

0 1
O 0.057952 -0.208824 2.118504
O -1.571493 1.790421 1.654409
O 4.706462 0.491124 0.500420
O 3.604912 1.053550 -1.395022
O -2.786367 3.402286 -0.596633
N -2.029763 1.181918 -0.525074
N -4.117383 1.771814 -1.518026
C -0.103711 0.119515 0.735555
C 1.149425 0.861061 0.233332
C -0.407471 -1.190989 0.038931
C 2.411948 0.039801 0.494371
C -1.306265 1.122925 0.679676
C -0.082076 -1.387099 -1.311809
C -1.036004 -2.216250 0.760207
C 3.575232 0.593373 -0.277895
C -0.395988 -2.596881 -1.935396
C -1.344816 -3.426040 0.132063
C -1.028993 -3.616808 -1.216243
C -2.986888 2.233962 -0.826147
C 5.956037 0.938111 -0.090622
H 1.057285 1.096664 -0.849830
H 1.232360 1.846414 0.741112
H 2.263571 -1.026313 0.201321
H 2.630042 -0.002902 1.586642
H 0.430970 -0.608134 -1.878433
H -1.265484 -2.065140 1.819444
H -0.065342 0.599271 2.688768
H -1.869457 0.465366 -1.241816
H -0.139508 -2.748184 -2.983589
H -1.828802 -4.221645 0.697812
H -1.269521 -4.559903 -1.705404
H 6.285494 0.193823 -0.821369
H 6.626777 0.989195 0.773468
H 5.823368 1.916542 -0.564865
H -4.859198 2.440805 -1.690377
H -4.413805 0.810271 -1.471185


%chk=000211251-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211251

0 1
O 0.056034 -0.195237 2.321633
O -1.681258 1.743788 1.873086
O 4.773959 0.451272 0.396892
O 3.448057 1.259759 -1.337061
O -3.111479 3.284858 -0.242725
N -1.999557 1.183987 -0.395274
N -3.723955 1.738350 -1.879920
C -0.140651 0.104631 0.905367
C 1.098412 0.881788 0.370276
C -0.431864 -1.204756 0.157660
C 2.405387 0.089086 0.577798
C -1.368653 1.095655 0.838638
C -0.154954 -1.356145 -1.228668
C -1.045460 -2.277364 0.852894
C 3.547950 0.674954 -0.231696
C -0.499158 -2.550701 -1.904260
C -1.388170 -3.468235 0.177224
C -1.122630 -3.608921 -1.205696
C -2.976013 2.166499 -0.787844
C 5.971368 0.928157 -0.339633
H 0.986603 1.134695 -0.699481
H 1.157487 1.842365 0.915271
H 2.272328 -0.957505 0.237169
H 2.677896 0.037015 1.643046
H 0.366515 -0.566900 -1.783921
H -1.222025 -2.165791 1.926369
H -0.387108 0.550994 2.823745
H -1.732087 0.468590 -1.081143
H -0.266453 -2.656065 -2.969861
H -1.857910 -4.289454 0.730089
H -1.385761 -4.535432 -1.727805
H 6.034886 0.437421 -1.325426
H 6.821161 0.649968 0.298927
H 5.920541 2.020535 -0.482530
H -4.396814 2.398820 -2.263923
H -3.743123 0.772420 -2.202917


