%chk=000197485.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197485

0 1
O 4.606476 -4.798672 -1.445068
O -2.660615 -2.171185 2.125687
O -5.978540 -0.426191 0.019363
O -4.507944 -0.711406 -1.644382
O -0.443001 0.722780 -1.383012
O -2.898090 4.247177 -1.568978
O -2.498712 4.186950 0.625345
N -2.432322 -0.709742 0.385788
N 2.175448 3.035364 0.713428
N -0.020935 2.641186 -0.232657
N 0.408304 4.656762 0.924209
C 3.478660 -3.136428 -0.128482
C 3.940069 -2.078618 -1.161200
C 2.031523 -2.933627 0.251804
C 3.532981 -0.691698 -0.751279
C -3.727932 -0.061179 0.637514
C 2.248722 -0.234703 -1.059699
C -3.606170 1.471302 0.732863
C 1.003528 -3.174675 -0.672993
C 1.719800 -2.417445 1.519884
C 4.398584 0.139708 -0.013594
C 1.789637 0.996212 -0.571190
C -0.603159 -2.230440 0.869386
C 3.730542 -4.550545 -0.650799
C 2.661389 1.807863 0.186505
C -0.312233 -2.814354 -0.368912
C 0.404491 -2.069757 1.830062
C 3.982267 1.386750 0.445143
C -1.982534 -1.750647 1.203970
C -3.201912 2.143095 -0.577491
C -4.698344 -0.440395 -0.486409
C 0.379906 1.406114 -0.797008
C 0.823680 3.403168 0.459636
C -2.820864 3.571545 -0.373370
H 4.124484 -3.023281 0.785348
H 5.039648 -2.162269 -1.293139
H 3.521798 -2.326510 -2.160552
H -4.154004 -0.457796 1.614408
H 1.562530 -0.839950 -1.665116
H -2.861032 1.722256 1.522765
H -4.572672 1.885199 1.091909
H 1.228896 -3.614144 -1.643791
H 2.504093 -2.264486 2.259323
H 5.412594 -0.200111 0.207155
H 3.071480 -5.329734 -0.235791
H -1.106480 -2.973458 -1.101746
H 0.158996 -1.663954 2.813474
H -1.869813 -0.343371 -0.397312
H 4.667165 2.017750 1.006087
H -2.309206 1.625105 -1.043236
H -3.992431 2.054289 -1.354907
H 2.823173 3.667514 1.178192
H -6.665862 -0.670376 -0.655938
H 0.814265 5.015172 1.777588
H -0.612596 4.825575 0.861874
H -2.600026 5.190408 -1.504759


%chk=000197485-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197485

0 1
O 4.134819 -5.086796 -1.628627
O -2.350771 -1.448714 2.396887
O -5.840559 0.159885 -0.660848
O -4.240628 -1.081079 -1.797494
O -0.291069 0.409364 -1.599711
O -4.570173 4.432219 -0.543400
O -2.506078 4.560947 0.463181
N -2.342487 -0.590491 0.225079
N 2.160090 2.869900 0.578212
N 0.024135 2.388627 -0.420944
N 0.289809 4.307891 0.863862
C 3.584023 -3.280973 -0.033062
C 4.128423 -2.273335 -1.112850
C 2.133158 -2.991597 0.373728
C 3.725053 -0.840311 -0.806856
C -3.676964 -0.017722 0.387074
C 2.457078 -0.373352 -1.212958
C -3.702734 1.511481 0.696521
C 1.076841 -3.136003 -0.562725
C 1.842054 -2.435780 1.645259
C 4.523134 0.020546 -0.002288
C 1.929257 0.845446 -0.739992
C -0.462075 -1.976620 0.952128
C 3.718838 -4.733008 -0.500419
C 2.735924 1.678314 0.085341
C -0.203514 -2.610855 -0.288485
C 0.552174 -1.949424 1.940630
C 4.052387 1.279756 0.424092
C -1.788919 -1.332280 1.256796
C -3.261301 2.401434 -0.503322
C -4.555423 -0.385646 -0.811242
C 0.499344 1.198974 -0.972633
C 0.822055 3.172335 0.319665
C -3.360802 3.861187 -0.144827
H 4.203126 -3.195896 0.886127
H 5.226914 -2.386682 -1.163781
H 3.735937 -2.588916 -2.095992
H -4.109776 -0.516080 1.279905
H 1.810341 -0.975016 -1.856741
H -3.034130 1.680423 1.559523
H -4.732840 1.775261 0.995996
H 1.268623 -3.603464 -1.536347
H 2.640989 -2.343865 2.391221
H 5.524337 -0.305495 0.305166
H 3.392173 -5.489999 0.257147
H -0.995152 -2.675726 -1.042205
H 0.322979 -1.513828 2.918745
H -1.775520 -0.355107 -0.609997
H 4.687271 1.926768 1.041436
H -2.205440 2.195294 -0.758777
H -3.913899 2.207349 -1.371002
H 2.721270 3.473241 1.181888
H -6.402175 -0.109897 -1.437016
H 0.830621 4.953716 1.434044
H -0.729220 4.452258 0.727347
H -4.593827 5.389439 -0.266559


