%chk=000228738.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228738

0 1
O 0.861965 -0.489317 0.669748
O 1.625228 -0.283494 -1.463411
C -0.201374 2.157858 0.158613
C -1.055354 0.908977 0.109694
C -0.493542 -0.364102 0.302732
C -0.877346 3.279643 0.956156
C 0.130389 2.605203 -1.270237
C -2.432019 0.952351 -0.151885
C 3.187942 -0.603311 0.439472
C -1.229544 -1.548550 0.252849
C -2.607683 -1.471210 0.001141
C -3.199294 -0.214120 -0.202701
C 1.863302 -0.436711 -0.296074
C 4.002326 0.676050 0.253295
C 3.897870 -1.835317 -0.118698
C -3.422244 -2.721510 -0.059149
H 0.759692 1.904001 0.680903
H -1.770484 3.662931 0.451433
H -0.196504 4.126078 1.095661
H -1.182998 2.930304 1.948990
H 0.622644 1.793430 -1.828980
H 0.800086 3.469541 -1.275251
H -0.769742 2.877924 -1.830730
H -2.912270 1.916704 -0.321088
H 2.980450 -0.756193 1.532473
H -0.735249 -2.503354 0.409479
H -4.265542 -0.144428 -0.406816
H 4.980539 0.592875 0.742373
H 3.493732 1.547943 0.683022
H 4.186485 0.890558 -0.808720
H 4.878734 -1.970886 0.352790
H 3.320123 -2.751315 0.055750
H 4.065107 -1.752607 -1.201981
H -3.148891 -3.325734 -0.937230
H -3.263992 -3.349672 0.828946
H -4.499842 -2.524241 -0.126371


%chk=000228738-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228738

0 1
O 0.849030 -0.557508 0.779584
O 1.682358 -0.316996 -1.401751
C -0.176075 2.154284 0.038289
C -1.033187 0.886582 0.030907
C -0.520531 -0.394162 0.351312
C -0.758462 3.232881 0.989261
C -0.000082 2.709693 -1.401155
C -2.410691 0.936290 -0.303480
C 3.243574 -0.679350 0.485769
C -1.313701 -1.556235 0.357735
C -2.687899 -1.487994 0.024677
C -3.222449 -0.217657 -0.308360
C 1.885927 -0.501870 -0.185741
C 4.003761 0.675108 0.450146
C 4.045468 -1.788297 -0.239101
C -3.548260 -2.739751 0.015142
H 0.827449 1.888829 0.420819
H -1.753546 3.574949 0.649362
H -0.093902 4.116379 1.018050
H -0.866117 2.845449 2.018464
H 0.447553 1.945462 -2.059390
H 0.656548 3.599881 -1.395160
H -0.974493 3.009984 -1.830248
H -2.857366 1.903215 -0.563029
H 3.065202 -0.966821 1.536638
H -0.848014 -2.511155 0.625884
H -4.283273 -0.133136 -0.572301
H 4.990247 0.562229 0.934332
H 3.448183 1.467417 0.983689
H 4.161990 1.000456 -0.593476
H 5.045345 -1.890631 0.219417
H 3.535435 -2.766197 -0.175550
H 4.171650 -1.535083 -1.306306
H -3.253489 -3.422055 -0.804868
H -3.450689 -3.304987 0.960281
H -4.614796 -2.492907 -0.123644


