%chk=000292563.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000292563

0 1
O -8.732539 0.541795 0.066182
O 8.369176 1.313436 0.010638
O -6.567947 2.204144 0.164942
O 8.217888 -1.388124 0.223693
O -8.230700 -2.322385 -0.135670
O 5.880345 2.786265 -0.403485
O -0.169700 0.553885 -0.039839
N -2.466586 -0.974430 -0.069118
N 2.268628 -0.730922 -0.305468
N -1.224095 -1.546751 -0.050587
N 1.081387 -1.389157 -0.478628
C -7.443422 0.034267 0.012969
C 7.143237 0.670883 -0.070509
C -4.854127 -1.085978 0.116995
C 4.655509 -0.597221 -0.467392
C -6.292613 0.859321 0.127252
C 7.029447 -0.746683 -0.034443
C -7.259884 -1.361959 -0.043997
C 5.980925 1.427801 -0.308919
C -5.009205 0.308088 0.174172
C 5.803546 -1.382600 -0.229490
C -5.966682 -1.923897 0.013088
C 4.733763 0.789155 -0.509742
C -3.512856 -1.713263 0.179452
C 3.372612 -1.303444 -0.697886
C -9.043945 1.499332 -0.983717
C 9.072266 1.100665 1.266366
C -5.444902 3.118888 0.270036
C 8.207584 -2.836989 0.274569
C -9.621112 -1.905324 -0.175705
C 7.079091 3.588632 -0.233622
C -0.111077 -0.635387 -0.171382
H -4.124543 0.939356 0.252656
H 5.721149 -2.461653 -0.196236
H -5.873030 -3.005853 -0.031778
H 3.848504 1.406151 -0.680362
H -3.511227 -2.783453 0.432901
H 3.466001 -2.281237 -1.191263
H -8.432074 2.400975 -0.854053
H -10.100885 1.708876 -0.792098
H -8.888362 1.051673 -1.966692
H 9.353998 0.044410 1.356128
H 8.455751 1.420916 2.108085
H 9.954936 1.735700 1.141796
H -5.953044 4.090940 0.283477
H -4.902004 2.945862 1.204451
H -4.791616 3.022141 -0.602379
H 9.263854 -3.057675 0.476478
H 7.567833 -3.184622 1.090353
H 7.901031 -3.248150 -0.691565
H -9.858005 -1.290909 0.701489
H -10.142276 -2.868578 -0.154790
H -9.814899 -1.353057 -1.098977
H 7.851634 3.272899 -0.945132
H 6.703752 4.594264 -0.454334
H 7.438789 3.502080 0.794790
H -1.079714 -2.531918 0.193982
H 1.024332 -2.297681 -0.950786


%chk=000292563-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000292563

0 1
O -8.951076 0.379941 -0.375615
O 8.618076 1.156432 0.400361
O -6.880059 2.268441 -0.454145
O 8.327023 -1.531276 -0.310554
O -8.315030 -2.385679 -0.084153
O 6.311170 2.739671 0.896091
O -0.185761 1.021595 0.048789
N -2.512537 -0.570061 -0.071979
N 2.290531 -0.346357 0.037126
N -1.241279 -1.097431 0.016251
N 1.073824 -0.978420 -0.109214
C -7.605637 -0.013210 -0.290886
C 7.345206 0.575429 0.278767
C -4.910036 -0.914559 -0.080137
C 4.715341 -0.487527 0.005094
C -6.515277 0.918576 -0.325998
C 7.151092 -0.789802 -0.092598
C -7.317711 -1.393370 -0.097144
C 6.198990 1.403376 0.476169
C -5.184986 0.472116 -0.235490
C 5.848437 -1.317720 -0.218158
C -5.980253 -1.836350 0.003922
C 4.900029 0.876226 0.342881
C -3.530562 -1.402433 0.011866
C 3.376967 -1.070377 -0.139150
C -9.351030 1.157654 -1.571045
C 9.527772 0.558838 1.404446
C -5.797240 3.260505 -0.446905
C 8.178179 -2.919858 -0.751038
C -9.408109 -2.228863 0.900828
C 7.073704 3.654426 0.017668
C -0.123940 -0.221657 -0.007996
H -4.337280 1.160963 -0.270708
H 5.697773 -2.365686 -0.497963
H -5.803620 -2.909231 0.134526
H 4.035976 1.523578 0.512988
H -3.397956 -2.495367 0.152383
H 3.332087 -2.148037 -0.406343
H -8.838659 2.132873 -1.586516
H -10.439110 1.290086 -1.470752
H -9.122307 0.586532 -2.490449
H 9.767698 -0.483593 1.137809
H 9.067538 0.606114 2.409195
H 10.433359 1.183697 1.375404
H -6.302139 4.233865 -0.532078
H -5.223497 3.214861 0.497634
H -5.111923 3.114213 -1.303203
H 9.205374 -3.288753 -0.887588
H 7.659711 -3.533615 0.011461
H 7.630587 -2.977835 -1.711539
H -8.999722 -2.256748 1.929908
H -10.065297 -3.096430 0.736011
H -9.953984 -1.286174 0.734826
H 6.565816 3.749068 -0.961665
H 7.062349 4.624074 0.538199
H 8.107489 3.296898 -0.119321
H -1.102527 -2.109869 0.162504
H 1.030343 -1.980261 -0.355882


