%chk=000194043.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194043

0 1
O -2.792077 0.782626 0.093436
O -0.713616 -0.677230 -3.508239
O 2.362443 1.704572 3.578341
O 7.483824 1.485502 -3.311327
O -5.012233 -0.861071 -0.121446
O -6.564990 -0.674198 1.473832
C -0.406250 0.256301 -0.013103
C 0.001136 -0.667915 -1.185606
C -1.566982 1.166861 -0.522723
C -1.636247 1.007189 -2.047569
C -0.782663 -0.187174 -2.410192
C -0.250846 -2.158006 -0.910544
C 0.755546 1.091036 0.444516
C 1.292404 0.976873 1.660549
C -1.677068 -2.465361 -0.562077
C 2.459938 1.798099 2.136659
C 3.819563 1.225503 1.696698
C 4.177620 1.627824 0.263500
C -2.056468 -2.917090 0.637169
C 5.550954 1.076657 -0.144463
C -3.472552 -3.283791 0.965964
C 5.912308 1.497926 -1.571272
C -3.967377 -2.625427 2.261427
C 7.273776 0.941444 -1.990129
C -4.229266 -1.122915 2.102977
C -5.403704 -0.863598 1.211091
H -0.803204 -0.355659 0.835905
H 1.090404 -0.544708 -1.413966
H -1.461476 2.223483 -0.195874
H -1.279562 1.910378 -2.577670
H -2.679401 0.878389 -2.398138
H 0.032025 -2.743473 -1.815973
H 0.440541 -2.495312 -0.110658
H 1.135892 1.798368 -0.293331
H 0.914473 0.282401 2.417520
H -3.117299 -0.095846 -0.236898
H -2.388558 -2.311561 -1.374830
H 2.358248 2.872115 1.859641
H 3.807736 0.121829 1.798136
H 4.603932 1.569371 2.398749
H 3.402977 1.255437 -0.436396
H 4.172554 2.731160 0.164326
H -1.344515 -3.064725 1.450110
H 5.551101 -0.028110 -0.063045
H 6.325190 1.433173 0.562962
H -3.540633 -4.388998 1.064135
H -4.156783 -3.021009 0.128803
H 5.928661 2.603084 -1.667411
H 5.142114 1.159271 -2.293449
H 3.032821 2.267124 4.006612
H -4.892344 -3.132804 2.605287
H -3.226080 -2.774317 3.072867
H 7.279045 -0.160470 -2.048614
H 8.091337 1.287318 -1.333579
H -4.423623 -0.657213 3.094180
H -3.320163 -0.607820 1.700690
H 8.300959 1.123028 -3.698571
H -5.760241 -0.650038 -0.739090


%chk=000194043-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194043

0 1
O -3.273006 1.588132 0.768188
O -2.611873 -0.033639 -3.088023
O 2.031035 2.900388 3.222811
O 7.190464 -1.027442 -2.747017
O -4.591903 -0.818761 0.072053
O -5.176166 -3.010683 0.544023
C -0.933961 1.188685 -0.114689
C -0.753888 0.542130 -1.527852
C -2.263628 2.060894 -0.175340
C -2.753477 1.991598 -1.648712
C -2.112966 0.727255 -2.223232
C -0.180578 -0.902184 -1.539907
C 0.280974 1.971946 0.320916
C 1.034298 1.704159 1.417219
C -1.109433 -1.943796 -0.950424
C 2.267951 2.474107 1.821340
C 3.561448 1.622216 1.730956
C 3.953301 1.241648 0.286781
C -0.917275 -2.602857 0.223356
C 5.262366 0.424068 0.211502
C -1.863186 -3.649453 0.779631
C 5.646770 0.053323 -1.238247
C -2.605127 -3.206584 2.074684
C 6.939638 -0.762220 -1.319185
C -3.423584 -1.902825 1.906282
C -4.469355 -2.021409 0.816935
H -1.122958 0.384267 0.620972
H -0.049327 1.180284 -2.110104
H -2.063933 3.093845 0.149827
H -2.364093 2.855589 -2.225315
H -3.851531 2.001787 -1.744148
H 0.037886 -1.172495 -2.591767
H 0.782614 -0.892949 -0.993155
H 0.560431 2.826430 -0.319461
H 0.765701 0.874872 2.088192
H -3.692825 0.738202 0.448514
H -2.001499 -2.174630 -1.551794
H 2.382829 3.367989 1.167950
H 3.427776 0.709691 2.345768
H 4.395170 2.198270 2.189718
H 3.129373 0.662813 -0.176324
H 4.065429 2.163634 -0.321926
H -0.022742 -2.375515 0.827366
H 5.149965 -0.499703 0.817252
H 6.085347 1.005422 0.678380
H -1.300697 -4.575722 1.013518
H -2.611321 -3.920915 0.010923
H 5.774714 0.971922 -1.843505
H 4.832437 -0.530761 -1.709363
H 2.869340 3.297352 3.575345
H -3.277992 -4.024538 2.392433
H -1.875008 -3.044194 2.890949
H 6.826710 -1.714026 -0.754312
H 7.780790 -0.188424 -0.870569
H -3.956040 -1.674882 2.851272
H -2.769890 -1.042235 1.692094
H 8.017527 -1.563471 -2.843573
H -5.279721 -0.928105 -0.639307


