%chk=000196240.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196240

0 1
O 0.396865 -1.044690 -0.200113
O 1.788189 0.627987 0.237403
O 3.808981 -0.983002 -1.372126
O 3.629161 -3.539148 0.360088
O 1.225051 -3.160753 1.496791
O 1.314916 2.800778 2.001807
O 2.483261 4.064734 -0.236256
O -2.093875 -3.078711 -1.148601
O -0.601376 1.426739 2.722074
O 2.714569 1.451546 -2.706995
N -3.161627 1.295964 1.210955
N -4.166171 -0.751944 0.650353
C 2.882884 -1.363462 -0.335743
C 2.638248 -2.887546 -0.426473
C 1.652995 -0.482149 -0.645674
C 1.232587 -3.292561 0.073884
C 0.150407 -2.418349 -0.582401
C 1.314902 1.904424 -0.276328
C 0.491584 2.535961 0.862553
C 2.612156 2.688758 -0.605851
C -1.264266 -2.706710 -0.048769
C -0.678052 1.617579 1.312133
C 2.886927 2.743139 -2.122920
C -2.046551 2.226974 0.938368
C -3.607518 0.427580 0.196722
C -3.596967 0.772222 -1.178647
C -4.217521 -0.087240 -2.081166
C -4.767182 -1.559601 -0.254827
C -4.811095 -1.270493 -1.629063
H 3.321924 -1.091843 0.654338
H 2.836928 -3.252147 -1.462797
H 1.564792 -0.186124 -1.714971
H 1.053819 -4.383336 -0.083664
H 0.176401 -2.501747 -1.693071
H 0.684319 1.752958 -1.180946
H 0.158868 3.560510 0.563454
H 3.462737 2.231219 -0.048769
H -1.289680 -3.593320 0.616797
H -1.678280 -1.833969 0.493066
H -0.558119 0.569266 0.924567
H 4.667537 -1.448450 -1.234448
H 3.321035 -3.610193 1.306863
H 1.035477 -2.216515 1.747804
H 2.143760 3.374966 -2.648047
H 3.899320 3.130419 -2.330981
H -2.235807 3.143869 1.548009
H -2.054981 2.554262 -0.125545
H 1.652366 1.938897 2.370802
H 2.489516 4.145375 0.754760
H -2.478763 -2.280558 -1.578011
H -0.494391 2.291692 3.190461
H -3.118911 0.883239 2.155237
H 3.427073 0.828956 -2.401604
H -3.145596 1.700493 -1.513367
H -4.241192 0.164156 -3.142712
H -5.210705 -2.479501 0.149342
H -5.305833 -1.947600 -2.318044


%chk=000196240-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196240

0 1
O 0.536779 -1.197377 -0.039836
O 1.812259 0.717573 0.448898
O 4.192965 -0.586957 -0.576712
O 4.044467 -3.500333 -0.311118
O 1.498589 -3.741087 0.936070
O 1.300387 3.043171 2.123360
O 2.518094 4.288770 -0.148128
O -1.938120 -2.392801 -1.614511
O -1.426094 2.664276 2.421954
O 3.251551 1.344438 -2.294185
N -2.964961 1.067509 0.894489
N -4.982651 -0.084948 1.033790
C 2.998181 -1.297498 -0.094029
C 2.915382 -2.683478 -0.772774
C 1.763896 -0.430448 -0.398060
C 1.562492 -3.369687 -0.493456
C 0.409874 -2.424363 -0.885227
C 1.396687 2.027011 -0.129814
C 0.494029 2.704217 0.910582
C 2.703092 2.853430 -0.381379
C -0.995144 -3.005684 -0.682194
C -0.728560 1.891463 1.378874
C 3.217731 2.730369 -1.829954
C -1.765744 1.627122 0.276811
C -3.933339 0.336242 0.242303
C -3.861593 0.014596 -1.153918
C -4.888484 -0.776045 -1.714207
C -5.953122 -0.841525 0.458267
C -5.954332 -1.230672 -0.902957
H 3.063966 -1.426948 1.006452
H 3.065735 -2.565696 -1.861547
H 1.724736 -0.143453 -1.469064
H 1.505388 -4.322839 -1.045918
H 0.506553 -2.147057 -1.956775
H 0.841056 1.862512 -1.073040
H 0.164881 3.685007 0.529882
H 3.458568 2.438227 0.320304
H -0.968432 -4.085533 -0.917677
H -1.306418 -2.887962 0.373719
H -0.385639 0.920596 1.792177
H 4.954595 -1.222212 -0.538276
H 3.756736 -3.914681 0.548407
H 1.150970 -2.948184 1.427968
H 2.528999 3.263130 -2.507505
H 4.213941 3.210371 -1.899632
H -1.985173 2.572893 -0.266827
H -1.338775 0.900070 -0.438922
H 1.788857 2.220229 2.392157
H 2.379816 4.410162 0.830156
H -2.532435 -1.733767 -1.165479
H -0.728337 3.032721 3.025947
H -3.165825 1.354395 1.856870
H 3.835557 0.774985 -1.707020
H -3.079504 0.436803 -1.791435
H -4.851214 -1.032813 -2.778475
H -6.767934 -1.145460 1.126742
H -6.759882 -1.849781 -1.306424


