%chk=000220511.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220511

0 1
O 0.006554 1.227265 0.041031
O 0.146400 -3.934404 -2.961497
O -0.346317 -5.155799 -1.156164
C -0.003594 -1.469506 1.281647
C -1.251165 -0.687569 0.899032
C 1.249771 -0.698042 0.896920
C -0.009964 -2.850904 0.571372
C -0.003596 -1.680707 2.808985
C -1.185595 0.567498 0.333540
C 1.193648 0.557101 0.330553
C -0.004036 -2.722223 -0.952583
C -2.549381 -1.237702 1.134040
C 2.543834 -1.258182 1.130909
C -2.344869 1.337881 -0.025459
C 2.358623 1.317364 -0.031636
C -3.615032 0.757940 0.222854
C 3.624392 0.727255 0.215037
C -3.687996 -0.547359 0.809518
C 3.687614 -0.577665 0.803711
C -2.258709 2.636973 -0.609187
C 2.282142 2.616305 -0.617051
C -0.098643 -4.063098 -1.608864
C -4.788141 1.498492 -0.122771
C 4.802961 1.457516 -0.133858
C -3.402961 3.325684 -0.931003
C 3.431467 3.295024 -0.942028
C -4.681268 2.748022 -0.684193
C 4.705397 2.707106 -0.696862
H 0.863621 -3.447256 0.902157
H -0.894775 -3.437083 0.894792
H -0.001729 -0.716319 3.333227
H -0.887585 -2.230964 3.147044
H 0.878134 -2.234359 3.147020
H -0.849977 -2.082725 -1.299220
H 0.908481 -2.186800 -1.303782
H -2.616160 -2.231008 1.581446
H 2.603245 -2.250651 1.580681
H -4.670807 -0.978600 0.992837
H 4.667182 -1.016300 0.986486
H -1.268707 3.059337 -0.788560
H 1.295337 3.046581 -0.795257
H -5.762813 1.052354 0.068192
H 5.774253 1.003562 0.055764
H -3.351422 4.317417 -1.376731
H 3.387300 4.286491 -1.389151
H -5.572118 3.316925 -0.949486
H 5.600424 3.268180 -0.964742
H 0.084879 -4.798247 -3.447210


%chk=000220511-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220511

0 1
O 0.006783 1.241161 0.004879
O -0.026177 -3.958453 -3.056997
O -0.021147 -5.221712 -1.110663
C -0.007202 -1.466591 1.281340
C -1.268021 -0.669864 0.899899
C 1.261780 -0.683367 0.899035
C -0.014982 -2.857396 0.554852
C -0.008016 -1.713315 2.823971
C -1.211531 0.596891 0.309610
C 1.218330 0.584022 0.308970
C -0.014311 -2.744489 -0.978997
C -2.569386 -1.217797 1.158389
C 2.557470 -1.244923 1.156966
C -2.385457 1.353110 -0.036298
C 2.400011 1.328010 -0.037089
C -3.678326 0.769817 0.240841
C 3.686802 0.731183 0.239457
C -3.738508 -0.530432 0.843521
C 3.733607 -0.569745 0.841822
C -2.314913 2.650427 -0.638469
C 2.342838 2.626178 -0.638827
C -0.020714 -4.096779 -1.659159
C -4.858212 1.510544 -0.094968
C 4.874270 1.459672 -0.096417
C -3.484344 3.347830 -0.954171
C 3.519400 3.311464 -0.954599
C -4.766530 2.775281 -0.680948
C 4.795629 2.725487 -0.681954
H 0.863290 -3.443901 0.881577
H -0.899682 -3.434159 0.881678
H -0.002481 -0.754151 3.370107
H -0.903453 -2.281688 3.132799
H 0.881277 -2.291612 3.132092
H -0.893529 -2.175860 -1.338654
H 0.871074 -2.184931 -1.337988
H -2.639762 -2.209123 1.619807
H 2.617754 -2.236996 1.618242
H -4.717059 -0.976234 1.053996
H 4.707515 -1.025771 1.051925
H -1.332854 3.083700 -0.845132
H 1.365311 3.069762 -0.845089
H -5.837772 1.065839 0.116800
H 5.849195 1.004722 0.114972
H -3.422310 4.340118 -1.414079
H 3.467588 4.304528 -1.414094
H -5.674643 3.333476 -0.933786
H 5.709432 3.274287 -0.934850
H -0.029738 -4.863420 -3.472822


