%chk=000194464.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194464

0 1
O -2.741927 1.448002 -0.197922
O -4.816670 2.087894 -0.525862
O 1.429085 2.874125 0.482772
O 3.994826 2.160398 0.077197
C -3.593221 -1.216874 0.187111
C -1.666732 0.451918 -0.349966
C -2.094758 -0.943053 0.062243
C -0.646526 1.037586 0.643646
C -4.366545 -0.284313 -0.777022
C -3.943966 -2.667493 -0.186132
C -4.006905 -0.932124 1.640874
C -1.237922 0.512917 -1.810904
C 0.762761 0.613221 0.392489
C -1.190967 -1.898050 0.343194
C -4.049757 1.157964 -0.516587
C 1.118487 -0.803134 0.239092
C 0.258232 -1.851258 0.233767
C 1.745794 1.549074 0.338470
C 2.553983 -1.118383 0.081138
C 3.535029 -0.198198 0.025337
C 3.199463 1.241158 0.135684
C 5.001898 -0.537706 -0.143889
C 5.503424 -1.364196 1.045839
C 5.238427 -1.264336 -1.472881
H -0.938571 0.777623 1.684490
H -0.729427 2.156620 0.604676
H -5.461163 -0.444159 -0.674298
H -4.137176 -0.534948 -1.832822
H -3.502888 -3.386276 0.514593
H -5.027610 -2.833008 -0.164967
H -3.590204 -2.926333 -1.190119
H -5.084316 -1.064746 1.788507
H -3.494780 -1.598605 2.343401
H -3.763046 0.097170 1.937724
H -0.331376 -0.078193 -1.991732
H -2.016991 0.146923 -2.486508
H -1.014770 1.551040 -2.101203
H -1.551709 -2.885542 0.669707
H 0.688744 -2.861714 0.134295
H 2.803884 -2.182128 0.002565
H 5.583579 0.426632 -0.167276
H 5.016275 -2.342423 1.105766
H 5.321159 -0.844854 1.994194
H 6.582849 -1.540667 0.972618
H 4.865479 -0.674825 -2.318717
H 4.744502 -2.240378 -1.505555
H 6.308412 -1.434429 -1.640365
H 2.262929 3.437586 0.395538


%chk=000194464-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194464

0 1
O -2.862252 1.477222 -0.088550
O -5.035389 2.052228 -0.497023
O 1.549404 2.933170 0.393963
O 4.063238 2.220258 0.047087
C -3.634115 -1.250454 0.173542
C -1.724662 0.495679 -0.305393
C -2.132359 -0.932652 0.067317
C -0.639037 1.078570 0.638078
C -4.417153 -0.310254 -0.792835
C -3.985278 -2.715587 -0.192765
C -4.089281 -0.974724 1.645134
C -1.309685 0.607655 -1.792445
C 0.781189 0.632085 0.360988
C -1.180321 -1.906522 0.302580
C -4.169844 1.157200 -0.484283
C 1.165031 -0.767965 0.250731
C 0.264643 -1.846166 0.282967
C 1.793094 1.573749 0.289003
C 2.580587 -1.112130 0.108769
C 3.598925 -0.181727 0.026839
C 3.228800 1.233494 0.109654
C 5.070401 -0.549595 -0.142227
C 5.594896 -1.363714 1.070586
C 5.317073 -1.310493 -1.471927
H -0.918871 0.832972 1.681453
H -0.689929 2.176049 0.543625
H -5.503288 -0.484577 -0.709646
H -4.131604 -0.523660 -1.841312
H -3.585331 -3.435426 0.542740
H -5.083618 -2.839302 -0.199401
H -3.600120 -2.987864 -1.192064
H -5.176776 -1.151256 1.742532
H -3.561943 -1.651550 2.340110
H -3.880520 0.064370 1.953806
H -0.454310 -0.053949 -2.007543
H -2.137957 0.331249 -2.466679
H -1.013839 1.649092 -2.005981
H -1.564411 -2.917559 0.485170
H 0.739451 -2.838255 0.286877
H 2.824476 -2.181108 0.048248
H 5.628958 0.404304 -0.182810
H 5.069245 -2.333311 1.161595
H 5.454037 -0.809193 2.015502
H 6.673825 -1.574406 0.953004
H 4.976162 -0.718702 -2.340226
H 4.781421 -2.278731 -1.486276
H 6.395121 -1.519322 -1.600072
H 2.451216 3.376310 0.299757


