%chk=000220850.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220850

0 1
O -2.100530 -2.597395 -0.447619
O -4.525908 2.319961 0.193655
O 4.676326 -0.428871 0.146489
O 0.072207 1.771204 0.351631
N -0.581355 -0.412827 -0.006985
N 2.285490 -2.285608 0.956899
C -1.994008 -0.228183 -0.034301
C -2.786374 -1.403011 -0.221172
C -2.629434 1.002341 0.097989
C -4.040578 1.042580 0.043013
C -4.173480 -1.339828 -0.279016
C -4.820166 -0.104616 -0.144667
C 0.364413 0.599208 0.205237
C 1.804494 0.141899 0.219058
C 2.750378 1.050802 -0.109587
C 4.173586 0.856227 -0.157991
C 5.224573 1.704373 -0.455582
C -2.124172 -3.508908 0.683381
C 6.430426 0.937568 -0.336361
C -5.960896 2.511091 0.144086
C 6.055402 -0.335183 0.025861
C 2.081037 -1.197390 0.621014
H -2.066855 1.932267 0.242308
H -4.749915 -2.251344 -0.435667
H -0.280006 -1.384408 -0.191209
H -5.901910 -0.057385 -0.191833
H 2.426759 2.078833 -0.373697
H 5.170031 2.743726 -0.725573
H -3.147852 -3.835122 0.881922
H -1.679760 -3.036481 1.563134
H -1.506807 -4.340159 0.322072
H 7.424731 1.308448 -0.502760
H -6.445180 1.971563 0.962765
H -6.044331 3.597185 0.285176
H -6.351250 2.212119 -0.832813
H 6.559413 -1.256079 0.234143


%chk=000220850-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220850

0 1
O -1.901331 -2.529017 0.393475
O -4.550313 2.403848 -0.080042
O 4.875527 -0.399278 -0.030928
O 0.219079 1.880775 -0.163658
N -0.517332 -0.335829 0.103357
N 2.213490 -2.475738 0.262002
C -1.921680 -0.162228 0.125904
C -2.687524 -1.364323 0.285976
C -2.583991 1.074947 0.005915
C -4.000405 1.115427 0.046860
C -4.088761 -1.311346 0.323674
C -4.758428 -0.066851 0.204441
C 0.457635 0.639075 -0.031666
C 1.882210 0.118470 -0.011904
C 2.884366 1.062698 -0.139756
C 4.302367 0.893470 -0.156992
C 5.338456 1.830277 -0.285205
C -2.587710 -3.807955 0.565819
C 6.581952 1.112762 -0.237407
C -6.007725 2.517049 -0.042383
C 6.261421 -0.231696 -0.082195
C 2.108695 -1.287805 0.135302
H -2.012711 1.995898 -0.116481
H -4.677645 -2.225276 0.444581
H -0.221937 -1.316316 0.203713
H -5.850997 -0.045120 0.236395
H 2.522410 2.095323 -0.243017
H 5.204900 2.904672 -0.398910
H -3.242528 -4.027160 -0.299541
H -3.184889 -3.814822 1.498184
H -1.787659 -4.559535 0.628615
H 7.584043 1.530007 -0.307425
H -6.416901 2.159336 0.923399
H -6.215773 3.591085 -0.156529
H -6.479684 1.956372 -0.873637
H 6.847870 -1.142599 0.003065


