%chk=000216588.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216588

0 1
O -1.105268 2.559032 1.362592
O -3.740184 -2.386045 1.800959
O -4.868638 0.646997 -1.941157
O -5.571901 -1.718076 -0.405635
N 4.949305 -0.860309 -0.636068
N 0.220156 0.841365 0.550051
C 3.748054 -1.575616 -0.101267
C 2.514735 -0.694500 -0.358187
C 5.186591 0.432363 0.085833
C 2.653211 0.637914 0.321780
C 3.937653 1.167239 0.511278
C 6.163205 -1.741586 -0.567786
C 1.528657 1.391768 0.752017
C 7.262338 -1.176038 -1.484764
C 4.105799 2.422621 1.122073
C 1.704618 2.642997 1.361045
C 2.993516 3.149357 1.540234
C 8.434134 -2.146091 -1.603430
C -1.005379 1.457342 0.866089
C -2.189317 0.591550 0.508189
C -2.978842 0.953966 -0.585548
C -2.471720 -0.536076 1.273674
C -3.611893 -1.310973 0.967166
C -4.102191 0.173696 -0.894850
C -4.452172 -0.947739 -0.108331
C -4.842661 -3.307768 1.590984
C -5.214738 -0.325462 -2.966621
C -6.822849 -1.034921 -0.091509
H 3.825249 -1.819507 0.979871
H 3.641335 -2.535885 -0.650419
H 2.407722 -0.524109 -1.454193
H 1.607370 -1.238893 -0.030128
H 5.747444 1.077336 -0.636001
H 5.841403 0.305649 0.980187
H 6.552307 -1.872015 0.464282
H 5.876801 -2.754340 -0.928569
H 7.618185 -0.199997 -1.103900
H 6.832999 -0.968020 -2.486685
H 5.103404 2.830066 1.265893
H 0.839309 3.226765 1.693005
H 3.124157 4.123470 2.011630
H 0.193422 -0.097680 0.135266
H 9.220567 -1.734462 -2.247048
H 8.126388 -3.103193 -2.040167
H 8.887935 -2.358635 -0.629005
H -2.752968 1.833622 -1.188616
H -1.853242 -0.824833 2.123303
H -4.585408 -4.119159 2.282051
H -5.782442 -2.822041 1.866036
H -4.867893 -3.648755 0.549786
H -4.316954 -0.548264 -3.550286
H -5.642180 -1.235679 -2.531003
H -5.951601 0.225173 -3.562041
H -6.892180 -0.097632 -0.655128
H -7.571698 -1.761173 -0.421777
H -6.884451 -0.849916 0.983744


%chk=000216588-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216588

0 1
O -1.167086 2.897052 0.277536
O -3.162172 -2.802157 0.783560
O -5.749950 1.065723 -0.929979
O -5.681487 -1.715690 -0.150386
N 4.921023 -1.009160 -0.167733
N 0.244036 1.014926 0.183758
C 3.753479 -1.576123 0.543507
C 2.475781 -0.801582 0.170428
C 5.204164 0.357348 0.326424
C 2.663225 0.706561 0.295950
C 3.967859 1.248122 0.380112
C 6.108534 -1.896154 -0.098863
C 1.538692 1.594947 0.320690
C 7.251450 -1.475375 -1.046568
C 4.148402 2.646056 0.524064
C 1.724276 2.993012 0.469063
C 3.033901 3.505309 0.577312
C 8.384899 -2.523573 -1.074676
C -1.004303 1.639873 0.196943
C -2.185205 0.706242 0.080520
C -3.401558 1.263261 -0.381617
C -2.134219 -0.669150 0.418266
C -3.286636 -1.481516 0.320296
C -4.547987 0.458890 -0.500557
C -4.518508 -0.914262 -0.115088
C -3.672862 -3.884992 -0.087238
C -6.306513 0.527232 -2.193424
C -6.733032 -1.299906 0.815765
H 3.894075 -1.549983 1.656043
H 3.642735 -2.636043 0.250338
H 2.195434 -1.063361 -0.870801
H 1.660251 -1.156633 0.836953
H 5.949604 0.830639 -0.337086
H 5.665351 0.319913 1.352272
H 6.508767 -1.965268 0.948830
H 5.776929 -2.914246 -0.383242
H 7.670345 -0.498841 -0.735831
H 6.830535 -1.337738 -2.060820
H 5.164009 3.055414 0.587863
H 0.852133 3.647717 0.488463
H 3.177836 4.585479 0.689424
H 0.231277 0.009056 0.011194
H 9.204697 -2.205940 -1.743902
H 8.014937 -3.501720 -1.435798
H 8.814187 -2.677607 -0.066316
H -3.448328 2.324269 -0.641160
H -1.237500 -1.146700 0.828789
H -3.474439 -4.812615 0.470658
H -4.751309 -3.763152 -0.276160
H -3.117225 -3.895922 -1.044823
H -5.602742 0.714666 -3.026169
H -6.511656 -0.555020 -2.107725
H -7.240032 1.085481 -2.360249
H -7.037760 -0.255697 0.627132
H -7.574697 -1.987779 0.643914
H -6.356420 -1.408384 1.849040


