%chk=000187566.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187566

0 1
O -0.424556 -2.393900 0.068553
O -1.786519 -2.046703 -1.706835
O -3.605725 2.905184 0.399657
O -1.002521 -1.181551 2.931615
O 3.413603 -1.194490 -0.600527
N 0.674151 0.413036 -0.450348
N 0.805662 -0.324169 1.853882
N 2.745895 0.550072 0.730092
C -0.703753 -0.107327 -0.581192
C -1.451494 -0.108018 0.789329
C -0.570804 -1.603682 -1.111884
C -1.418294 0.720253 -1.679851
C -1.925885 1.293447 1.213137
C -0.585463 -0.636151 1.935973
C -2.429650 1.709790 -1.212467
C -2.651358 1.955657 0.084919
C 0.512892 -1.852163 -2.134649
C 1.346110 0.206503 0.640154
C 3.706101 -0.154320 -0.053803
C 5.065583 0.474675 -0.055823
H -2.343209 -0.781986 0.701780
H -1.915960 0.024848 -2.400168
H -0.644421 1.256693 -2.280949
H -1.057826 1.927757 1.502855
H -2.564122 1.210376 2.117935
H -2.984168 2.231962 -1.990694
H 1.517296 -1.844999 -1.668848
H 0.372047 -2.810995 -2.649318
H 0.529876 -1.071175 -2.908071
H 1.431311 -0.671780 2.585608
H -0.095382 -3.296483 -0.117861
H -2.502551 -2.144073 -1.044530
H 2.956901 1.470150 1.118049
H -3.747938 2.984434 1.368391
H 5.785881 -0.186894 -0.569048
H 5.460379 0.651641 0.953985
H 5.077110 1.432582 -0.596345


%chk=000187566-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187566

0 1
O -0.027452 -2.486220 0.014400
O -1.924920 -2.306651 -1.403911
O -3.082208 3.315308 0.359487
O -1.165794 -1.334458 2.911394
O 3.458843 -0.678891 -1.103830
N 0.662928 0.292931 -0.459098
N 0.697377 -0.412450 1.860761
N 2.659370 0.418792 0.814619
C -0.726974 -0.235668 -0.600315
C -1.482379 -0.138706 0.767799
C -0.606298 -1.739757 -1.103024
C -1.450960 0.564979 -1.723395
C -1.785006 1.342063 1.164737
C -0.671560 -0.729650 1.925109
C -2.236526 1.775442 -1.274238
C -2.392977 2.121086 0.023532
C 0.231560 -1.895397 -2.373069
C 1.277542 0.099954 0.667493
C 3.658410 0.086235 -0.127173
C 5.007718 0.744648 0.150236
H -2.445576 -0.676189 0.717113
H -2.130503 -0.121464 -2.264140
H -0.667168 0.876253 -2.439745
H -0.856845 1.846544 1.501200
H -2.469508 1.322249 2.038668
H -2.699514 2.397715 -2.048781
H 1.245915 -1.497397 -2.206384
H 0.283506 -2.966803 -2.642156
H -0.232187 -1.366422 -3.220274
H 1.299310 -0.819790 2.582511
H 0.302057 -3.359724 -0.316365
H -2.393042 -2.469404 -0.543538
H 2.932908 0.981180 1.623983
H -3.333599 3.310576 1.316361
H 5.810174 0.085882 -0.214782
H 5.174920 0.966515 1.219402
H 5.067658 1.694893 -0.411886


