%chk=000197862.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197862

0 1
O 2.308105 0.939196 -1.236266
O 1.357887 1.822738 0.656933
O -1.551591 0.513745 -0.143540
O -3.652629 -0.468846 -0.004017
N -3.323875 1.848708 0.029762
C 3.421361 1.412628 -0.424176
C 1.080017 0.993895 -0.488724
C 2.776998 1.787175 0.927211
C 0.606138 -0.377514 -0.080286
C 4.459954 0.310240 -0.341804
C -0.773861 -0.619959 0.098187
C 1.480290 -1.446377 0.132407
C -1.276209 -1.864946 0.479021
C 1.001852 -2.703833 0.515205
C -0.370126 -2.908422 0.688351
C -2.956720 0.517441 -0.041546
C -4.738960 2.224538 -0.168482
H 3.799547 2.298513 -0.978998
H 0.345928 1.553997 -1.104385
H 2.954027 1.050031 1.726665
H 3.014268 2.802787 1.279250
H 4.880068 0.095291 -1.334450
H 5.287312 0.572140 0.325051
H 4.011839 -0.634430 0.013772
H 2.556504 -1.288347 -0.015849
H -2.351149 -2.026171 0.601067
H 1.698744 -3.523386 0.674336
H -0.743146 -3.888914 0.986040
H -2.620554 2.579667 -0.058094
H -4.926969 2.587814 -1.193237
H -5.009227 3.017476 0.551101
H -5.406024 1.358823 0.015494


%chk=000197862-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000197862

0 1
O 2.526315 0.526852 -1.205276
O 1.059610 1.729084 0.218231
O -1.560674 0.357348 -0.333126
O -3.705679 -0.270104 0.522937
N -3.178623 1.906973 -0.192882
C 3.332244 1.481273 -0.380448
C 1.114099 0.653427 -0.812459
C 2.406524 1.739414 0.824815
C 0.579617 -0.672970 -0.286962
C 4.682305 0.841554 -0.064804
C -0.812253 -0.809384 -0.026510
C 1.417683 -1.785255 -0.057771
C -1.359716 -2.013869 0.467761
C 0.892193 -2.997587 0.444228
C -0.490946 -3.103391 0.707546
C -2.913018 0.583422 0.058028
C -4.499568 2.494262 0.039843
H 3.459983 2.412869 -0.967973
H 0.511820 1.033088 -1.655398
H 2.506949 0.936304 1.583309
H 2.538453 2.727943 1.290607
H 5.211439 0.580647 -0.997059
H 5.317914 1.543017 0.506677
H 4.549128 -0.079435 0.529916
H 2.479483 -1.687141 -0.302355
H -2.430673 -2.087814 0.660965
H 1.554697 -3.852282 0.617447
H -0.908449 -4.039932 1.093748
H -2.398806 2.483129 -0.511948
H -4.922529 2.909411 -0.893474
H -4.452721 3.295519 0.800164
H -5.167002 1.699326 0.408223


