%chk=000184041.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184041

0 1
O -3.074630 0.250967 0.413384
O -1.155094 0.744464 -2.638904
O 0.379161 0.317142 -0.577759
O 3.787412 1.623360 2.524046
O 4.929309 0.027972 -1.838727
O 5.534214 -0.695925 -3.821068
C -1.953554 0.076828 -0.467059
C -2.265715 0.934452 -1.741634
C -0.732829 0.558251 0.340139
C -4.707539 -0.483659 1.911276
C -3.550263 -0.973648 1.046148
C -2.445487 2.412689 -1.415717
C -3.452205 0.342016 -2.495101
C -5.424149 -1.613848 2.677351
C 1.661433 0.514290 -0.170105
C -6.075448 -2.622499 1.724433
C -4.483235 -2.320384 3.660029
C 2.098865 0.998976 1.063844
C 2.604381 0.174844 -1.182182
C 3.518487 1.131297 1.255607
C 3.995288 0.337707 -0.909035
C 4.485318 0.819414 0.315581
C 1.500821 1.449134 2.309258
C 2.213222 -0.336941 -2.470899
C 2.516943 1.805276 3.137910
C 3.145479 -0.647928 -3.400407
C 4.560823 -0.488847 -3.156261
H -1.814356 -0.983488 -0.772484
H -0.589352 -0.038744 1.255542
H -0.769260 1.633629 0.579600
H -4.333095 0.277152 2.625394
H -5.434447 0.056926 1.270846
H -2.731338 -1.414013 1.637030
H -3.873120 -1.674728 0.258401
H -2.743246 2.981065 -2.305701
H -3.229764 2.544929 -0.656235
H -1.530872 2.875877 -1.033652
H -4.323734 0.241858 -1.836533
H -3.206457 -0.644702 -2.908163
H -3.734543 0.971572 -3.348090
H -6.241447 -1.128678 3.273797
H -0.339910 1.174729 -2.297857
H -6.691128 -3.343394 2.274660
H -5.333025 -3.198563 1.162658
H -6.726023 -2.125435 0.996646
H -3.704277 -2.892746 3.146136
H -5.033689 -3.026243 4.292915
H -3.985339 -1.605971 4.324165
H 5.551381 0.932751 0.494622
H 0.449277 1.489619 2.519875
H 1.138744 -0.464056 -2.667029
H 2.611343 2.187186 4.130965
H 2.883766 -1.036134 -4.387052


%chk=000184041-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000184041

0 1
O -3.040396 0.343077 0.549288
O -1.374185 0.642399 -2.816670
O 0.427211 0.569378 -0.702059
O 3.796108 1.760274 2.549701
O 5.112000 -0.112766 -1.734090
O 5.752060 -0.998083 -3.767556
C -1.987550 0.173332 -0.472343
C -2.372961 0.962676 -1.766279
C -0.710824 0.649469 0.247398
C -4.679412 -0.550699 2.084401
C -3.642991 -0.923979 1.018237
C -2.429228 2.484574 -1.522328
C -3.704051 0.433753 -2.320443
C -5.409049 -1.758149 2.740593
C 1.746973 0.656023 -0.243865
C -6.229227 -2.581344 1.716612
C -4.444731 -2.670191 3.539360
C 2.153887 1.167982 1.012979
C 2.733590 0.203287 -1.174637
C 3.565247 1.216130 1.274726
C 4.125709 0.303558 -0.835963
C 4.574174 0.810418 0.397883
C 1.512975 1.721562 2.205171
C 2.393488 -0.372385 -2.458435
C 2.515768 2.055800 3.083810
C 3.365483 -0.786671 -3.341863
C 4.790835 -0.672951 -3.047945
H -1.873448 -0.892396 -0.759937
H -0.509213 -0.001657 1.117860
H -0.838619 1.693698 0.583727
H -4.166951 0.039737 2.869086
H -5.426550 0.119738 1.616441
H -2.849499 -1.579173 1.436362
H -4.111808 -1.445655 0.158963
H -2.778761 2.990671 -2.438245
H -3.122687 2.720709 -0.695295
H -1.432691 2.895615 -1.274556
H -4.529271 0.639127 -1.618219
H -3.641138 -0.653545 -2.505079
H -3.918066 0.926401 -3.284165
H -6.126993 -1.320935 3.465827
H -0.477869 0.876900 -2.454017
H -6.846862 -3.340650 2.230767
H -5.571081 -3.117515 1.007280
H -6.906681 -1.933360 1.129644
H -3.742271 -3.202950 2.871169
H -5.007978 -3.436936 4.102505
H -3.848016 -2.086899 4.265699
H 5.636772 0.876349 0.634074
H 0.453366 1.860479 2.396723
H 1.336920 -0.492727 -2.716814
H 2.521199 2.490219 4.079357
H 3.114394 -1.225919 -4.310235


