%chk=000185186.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185186

0 1
O 4.532763 -0.550011 0.862961
O -2.788718 -0.239071 -1.784953
O 0.355860 -2.962501 0.468113
O -7.231852 0.633677 -0.658186
C -1.047992 -0.643098 -0.069074
C 0.436543 -0.624379 0.175968
C -1.814652 0.227044 0.947654
C 2.534734 0.554950 0.373796
C -1.362223 -0.159597 -1.492084
C 3.557755 1.648269 0.403468
C 4.881186 0.894544 0.702790
C 1.173289 0.578888 0.142953
C 3.183626 -0.682711 0.645093
C -3.256183 0.352047 0.555068
C 1.123359 -1.824861 0.449842
C -3.655156 0.120153 -0.783294
C 2.511178 -1.893350 0.691239
C 5.894563 1.006024 -0.414819
C -4.239539 0.691160 1.487820
C -4.991687 0.211777 -1.192139
C -5.584382 0.800251 1.121638
C 5.724566 0.057242 -1.552347
C -5.933737 0.552797 -0.215603
C 6.858576 1.926992 -0.354585
H -1.427657 -1.699136 0.027960
H -1.361958 1.236491 1.024164
H -1.719065 -0.222815 1.956812
H -1.062571 0.886298 -1.669270
H -0.942095 -0.819865 -2.272145
H 3.602961 2.197217 -0.556124
H 3.336958 2.399322 1.183556
H 5.308068 1.146539 1.695652
H 0.662098 1.519451 -0.063000
H 3.022923 -2.823332 0.902447
H -3.956443 0.873593 2.525536
H -5.284155 0.024204 -2.221401
H -6.333877 1.065109 1.856275
H 5.723521 -0.984999 -1.190157
H 4.763308 0.213622 -2.062997
H 6.519172 0.145312 -2.303117
H 0.890874 -3.770999 0.671270
H 7.595936 2.062937 -1.132362
H 6.993508 2.612243 0.467627
H -7.857284 0.874676 0.068056


%chk=000185186-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000185186

0 1
O 4.569718 -0.604244 0.626633
O -2.952820 -0.470410 -1.728550
O 0.302517 -3.077016 0.611883
O -7.449048 0.639845 -0.548345
C -1.137407 -0.715609 -0.008384
C 0.373878 -0.704199 0.178128
C -1.880842 0.255895 0.946624
C 2.526881 0.482959 0.192526
C -1.503035 -0.344019 -1.465049
C 3.573939 1.576416 0.044953
C 4.888740 0.884643 0.550772
C 1.132391 0.490313 0.033580
C 3.179149 -0.731693 0.500020
C -3.352320 0.379162 0.572906
C 1.076759 -1.904969 0.480452
C -3.810758 0.018270 -0.726494
C 2.484614 -1.941023 0.650678
C 6.113092 1.079188 -0.323641
C -4.318371 0.836143 1.498420
C -5.173514 0.105636 -1.083725
C -5.685506 0.942654 1.167604
C 6.075502 0.452281 -1.702413
C -6.103693 0.568995 -0.134713
C 7.169957 1.794439 0.142358
H -1.506020 -1.740516 0.171855
H -1.392773 1.251934 0.909032
H -1.779522 -0.099213 1.988986
H -1.196027 0.697807 -1.693063
H -1.031100 -1.028066 -2.188011
H 3.674247 1.904470 -1.007037
H 3.356694 2.474100 0.649546
H 5.111480 1.190969 1.589380
H 0.615465 1.427183 -0.205907
H 3.016537 -2.867811 0.891935
H -3.990604 1.110492 2.508829
H -5.499144 -0.181863 -2.086137
H -6.410674 1.300872 1.908994
H 5.977023 -0.645084 -1.614110
H 5.205958 0.803601 -2.291092
H 6.991377 0.680384 -2.272619
H 0.876647 -3.855026 0.818050
H 8.051335 1.987458 -0.479128
H 7.183619 2.208098 1.158246
H -8.018241 0.978658 0.186132


