%chk=000191962.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191962

0 1
O 5.145772 2.448347 0.045715
O -2.313359 -1.275312 -0.062108
C 3.828522 0.540040 -0.689181
C 3.304083 -0.717023 0.088723
C 5.024799 1.022716 0.197006
C 3.749734 -0.561956 1.568250
C 2.767190 1.647007 -0.870620
C 4.698878 0.640761 1.650178
C 1.813691 -0.927231 0.005118
C 1.619541 1.562890 0.141970
C 4.355952 0.124775 -2.070482
C 0.986594 0.207271 0.068478
C 1.263023 -2.233806 -0.094628
C -0.404083 0.032176 0.043676
C -0.915951 -1.291372 -0.051083
C -0.123798 -2.431333 -0.123816
C 2.141755 -3.443511 -0.152439
C -1.560068 0.902530 0.091483
C -2.670527 0.105132 0.027874
C -4.105189 0.345783 0.032140
C -4.594788 1.662046 0.107667
C -5.009201 -0.730061 -0.038909
C -5.972291 1.893693 0.112048
C -6.383726 -0.488967 -0.033970
C -6.867703 0.821796 0.041495
H 3.821430 -1.616499 -0.336364
H 5.983819 0.573703 -0.136595
H 4.241317 -1.485250 1.915911
H 2.877773 -0.416738 2.230865
H 2.342803 1.596266 -1.892765
H 3.253279 2.644469 -0.801144
H 4.210776 1.492993 2.159380
H 5.604367 0.408602 2.230695
H 0.884407 2.367439 -0.051458
H 2.002184 1.741128 1.169706
H 5.146019 -0.629548 -2.008173
H 3.553152 -0.294456 -2.688969
H 4.770214 0.987962 -2.606515
H 5.872265 2.787124 0.598683
H -0.564814 -3.419158 -0.197703
H 1.726731 -4.224417 -0.803673
H 3.150708 -3.210094 -0.529208
H 2.261493 -3.882772 0.848868
H -1.519673 1.971447 0.163222
H -3.902766 2.500818 0.162338
H -4.625719 -1.750630 -0.097907
H -6.348783 2.913839 0.170495
H -7.080525 -1.324096 -0.089170
H -7.940404 1.006775 0.045096


%chk=000191962-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191962

0 1
O 5.569949 2.280487 -0.268048
O -2.326904 -1.332968 -0.120001
C 3.825587 0.554568 -0.645923
C 3.327836 -0.686916 0.191040
C 5.119046 0.940246 0.132053
C 3.803684 -0.426969 1.679165
C 2.782754 1.723953 -0.660096
C 4.756131 0.803732 1.627821
C 1.833203 -0.946955 0.073131
C 1.607055 1.550527 0.338218
C 4.161453 0.154920 -2.100718
C 0.977590 0.180738 0.180498
C 1.303296 -2.272275 -0.099590
C -0.425279 -0.020749 0.106313
C -0.917963 -1.344289 -0.067592
C -0.098252 -2.473109 -0.170513
C 2.220251 -3.481582 -0.206802
C -1.592119 0.838996 0.161017
C -2.717443 0.036158 0.022709
C -4.152740 0.309181 -0.005829
C -4.637136 1.642550 0.120165
C -5.092302 -0.749048 -0.161758
C -6.020027 1.907675 0.091033
C -6.475556 -0.477454 -0.190184
C -6.948489 0.849784 -0.064205
H 3.881749 -1.566594 -0.184319
H 5.905919 0.193674 -0.123481
H 4.320514 -1.322865 2.068572
H 2.941982 -0.243596 2.344095
H 2.346937 1.786363 -1.675093
H 3.308668 2.678023 -0.479235
H 4.233176 1.724482 1.948728
H 5.645875 0.681894 2.273315
H 0.858156 2.346101 0.169072
H 1.972801 1.685711 1.376020
H 4.930499 -0.641516 -2.134762
H 3.260140 -0.215429 -2.623235
H 4.550231 1.026377 -2.658543
H 6.430575 2.477891 0.178546
H -0.521716 -3.472978 -0.301366
H 1.633204 -4.412111 -0.286239
H 2.874443 -3.424726 -1.098092
H 2.881014 -3.577548 0.675376
H -1.597761 1.919670 0.288149
H -3.929770 2.470765 0.239652
H -4.724520 -1.774672 -0.259709
H -6.376512 2.939173 0.188707
H -7.186615 -1.302361 -0.311003
H -8.023710 1.058367 -0.086860


