%chk=000229719.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229719

0 1
O 0.434119 -1.001052 -1.137492
O 0.553271 1.011215 0.048540
C 2.622963 -0.290974 -0.249011
C 4.101707 -0.156283 -0.671881
C 1.856001 -1.030552 -1.376405
C 1.982341 1.114897 -0.118664
C 2.440760 -1.042541 1.088502
C 4.973668 0.584650 0.349362
C -0.110214 0.325838 -1.026747
C 3.059968 -2.435585 1.123155
C 6.436225 0.656103 -0.113992
C -1.547229 0.174779 -0.601739
C 7.310733 1.394958 0.896339
C -2.497008 1.114938 -1.025816
C -1.936565 -0.891620 0.218484
C -4.228646 -0.088525 0.182457
C -3.829787 0.981822 -0.634573
C -3.272238 -1.023847 0.604859
C -5.675048 -0.245360 0.614254
C -6.581961 -0.441205 -0.607236
C -6.117804 0.959414 1.454001
H 4.164415 0.359072 -1.650289
H 4.519467 -1.169164 -0.842477
H 2.058210 -0.604767 -2.372834
H 2.062876 -2.116508 -1.383595
H 2.281504 1.636613 0.807841
H 2.198039 1.754320 -0.990197
H 1.345825 -1.113199 1.282969
H 2.853058 -0.432864 1.915292
H 4.586652 1.607526 0.516503
H 4.918097 0.077460 1.332983
H 0.051390 0.872398 -1.976941
H 2.647449 -3.082039 0.339109
H 4.147443 -2.403994 0.993649
H 2.858398 -2.925422 2.083266
H 6.496917 1.159564 -1.098601
H 6.832016 -0.366242 -0.272372
H 7.303295 0.901166 1.874894
H 6.971377 2.425975 1.048012
H 8.352851 1.439469 0.560283
H -2.198043 1.952569 -1.653795
H -1.186025 -1.616246 0.542692
H -4.564322 1.714134 -0.963659
H -3.565577 -1.857830 1.239484
H -5.764279 -1.160686 1.256339
H -6.245913 -1.287968 -1.217019
H -7.615843 -0.637381 -0.304381
H -6.592175 0.442246 -1.254856
H -6.115133 1.887253 0.871613
H -7.131702 0.819268 1.843002
H -5.449321 1.111307 2.309689


%chk=000229719-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229719

0 1
O 0.415158 -1.044012 -0.967673
O 0.542363 0.896447 0.456828
C 2.673361 -0.304562 -0.130470
C 4.116215 -0.054051 -0.662399
C 1.853751 -0.943166 -1.287219
C 1.987140 1.057656 0.178445
C 2.632803 -1.196296 1.146238
C 5.126081 0.535004 0.350229
C -0.134193 0.287046 -0.699457
C 3.292518 -2.585993 1.017236
C 6.512420 0.788597 -0.286587
C -1.604093 0.163136 -0.393937
C 7.538285 1.361139 0.714876
C -2.536729 1.038298 -0.996689
C -2.067554 -0.817974 0.513093
C -4.389716 -0.042694 0.210788
C -3.911611 0.937359 -0.697595
C -3.443909 -0.916049 0.807441
C -5.882054 -0.167816 0.531024
C -6.696113 -0.586662 -0.723292
C -6.450786 1.137748 1.147136
H 4.055568 0.628794 -1.537745
H 4.525213 -1.009009 -1.053888
H 1.978571 -0.334049 -2.212153
H 2.175201 -1.975718 -1.498526
H 2.394069 1.529035 1.087670
H 2.120375 1.751837 -0.683740
H 1.572978 -1.316843 1.437216
H 3.117019 -0.641847 1.974862
H 4.743442 1.489509 0.765704
H 5.246632 -0.154714 1.209224
H 0.057420 0.935142 -1.590865
H 2.797853 -3.207918 0.249018
H 4.365409 -2.514605 0.758872
H 3.218216 -3.132966 1.974944
H 6.398857 1.485997 -1.141791
H 6.896901 -0.161830 -0.710551
H 7.692444 0.668790 1.563967
H 7.191777 2.326822 1.129093
H 8.519878 1.532143 0.236027
H -2.186491 1.803532 -1.700775
H -1.347436 -1.502696 0.971634
H -4.616717 1.627176 -1.176811
H -3.794108 -1.682328 1.510440
H -5.993760 -0.972106 1.286175
H -6.316009 -1.533330 -1.147588
H -7.763487 -0.723100 -0.467185
H -6.633107 0.186339 -1.511890
H -6.385097 1.977197 0.429978
H -7.515496 1.008476 1.417421
H -5.893253 1.426215 2.056249


