%chk=000084856.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084856

0 1
 O    1.444200      0.6739000      0.5065000    
 O   -3.022800      -1.281600      6.3600004E-02
 O  -0.8035000       3.480500      -1.025500    
 O  -0.3421000       1.474800      -1.981300    
 O   -3.634500      0.9286000      0.1900000    
 N   -1.410900      0.2705000      0.2762000    
 C   0.5233000       1.545000       1.161500    
 C  -0.8108000       1.574300      0.4091000    
 C   -4.402000      -1.650800     -4.7499999E-02
 C    1.158100       2.924500       1.291400    
 C   -4.984400     -0.9859000      -1.293800    
 C   -4.462600      -3.171600     -0.1716000    
 C   -5.133200      -1.184800       1.210700    
 C  -0.6375000       2.132100     -0.9917000    
 C    2.653400      0.5554000       1.239800    
 C   -2.771600      5.6800000E-02  0.1778000    
 C    3.581600     -0.3688000      0.5078000    
 C    3.548300      -1.732700      0.7764000    
 C    4.466300      0.1467000     -0.4328000    
 C    4.410800      -2.592000      9.5899999E-02
 C    5.328800     -0.7127000      -1.113500    
 C    5.301000      -2.082100     -0.8491000    
 H   0.3249000       1.145500       2.165400    
 H   -1.527400       2.212600      0.9412000    
 H  -0.7990000     -0.5373000      0.2062000    
 H   0.4028000       3.681600       1.528500    
 H    1.881100       2.960000       2.113200    
 H    1.681700       3.224600      0.3771000    
 H   -4.301100      -1.081400      -2.145600    
 H   -5.933700      -1.459800      -1.571200    
 H   -5.210700      7.7100001E-02  -1.179300    
 H   -4.000900      -3.651000      0.6993000    
 H   -3.898600      -3.512400      -1.047500    
 H   -5.492100      -3.533200     -0.2606000    
 H   -5.338100     -0.1120000       1.247200    
 H   -6.110800      -1.675300       1.288500    
 H   -4.560200      -1.434100       2.111500    
 H    3.170600       1.513700       1.350000    
 H    2.451300      0.1675000       2.246200    
 H    2.857100      -2.140900       1.508800    
 H    4.494700       1.211100     -0.6493000    
 H  -0.6691000       3.842600      -1.927200    
 H    4.388800      -3.658300      0.3011000    
 H    6.021500     -0.3159000      -1.850000    
 H    5.972300      -2.751200      -1.379300    


%chk=000084856-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000084856

0 1
O 1.351391 1.118917 0.087880
O -3.033430 -1.114614 -0.355845
O 0.352667 3.358773 -2.067646
O 0.123140 1.196696 -2.877605
O -3.021071 0.905191 0.905772
N -1.498805 0.483061 -0.812340
C 0.139727 1.815209 0.553299
C -0.831818 1.774683 -0.672461
C -4.203721 -1.737310 0.394359
C 0.430127 3.231479 1.073934
C -5.457199 -0.857679 0.212409
C -4.352962 -3.089783 -0.323506
C -3.820009 -1.921666 1.876490
C -0.080395 2.039186 -1.977505
C 2.217401 0.619806 1.154426
C -2.564395 0.153249 -0.003775
C 3.252610 -0.323210 0.561229
C 3.129383 -0.819523 -0.758559
C 4.353886 -0.731150 1.355859
C 4.093610 -1.717712 -1.272156
C 5.313216 -1.631898 0.843820
C 5.185433 -2.129632 -0.474524
H -0.348199 1.218153 1.353284
H -1.587925 2.566544 -0.518166
H -1.168598 -0.163131 -1.533199
H -0.506390 3.704020 1.422673
H 1.124555 3.194155 1.932167
H 0.872729 3.861325 0.285627
H -5.654935 -0.686613 -0.860764
H -6.333770 -1.373262 0.646016
H -5.332781 0.114893 0.714065
H -3.423347 -3.678295 -0.238514
H -4.573391 -2.938510 -1.394200
H -5.179171 -3.666541 0.129366
H -3.678350 -0.946807 2.369034
H -4.624620 -2.470186 2.399578
H -2.889271 -2.510316 1.962532
H 2.724000 1.461838 1.673985
H 1.596709 0.084251 1.909741
H 2.285984 -0.490123 -1.372013
H 4.464238 -0.344293 2.377555
H 0.877952 3.475824 -2.905353
H 3.990946 -2.094005 -2.296438
H 6.159290 -1.940858 1.468222
H 5.930558 -2.826536 -0.874653


