%chk=000176908.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176908

0 1
 O   -1.970000      0.6290000      4.7200002E-02
 O   -2.842300      -3.382400     -9.4200000E-02
 O   -4.977700      -1.441900      0.2558000    
 O  -0.7427000      -2.257000      -1.825600    
 O   0.1120000      0.2898000     -0.9491000    
 O   -5.237400       1.047200       1.262200    
 O   -3.219100       1.921000       1.861200    
 O    1.841600       1.797200      -1.091800    
 N  -0.3907000       2.547000      -1.338500    
 C   -2.805900      -2.044400     -0.5927000    
 C   -3.585200      -1.156700      0.3781000    
 C   -1.352600      -1.587400     -0.7225000    
 C   -3.358200      0.3167000      6.3600004E-02
 C   -1.266000     -8.0899999E-02 -0.9687000    
 C   -3.893300       1.185700       1.155500    
 C   0.4637000       1.601000      -1.138500    
 C    2.604200      0.6448000     -0.8639000    
 C    2.917200      0.2620000      0.4318000    
 C    3.690800     -0.9093000      0.6110000    
 C    3.010500     -5.9599999E-02  -1.978000    
 C    2.498000      0.9874000       1.559000    
 C    4.109800      -1.635100     -0.5161000    
 C    3.771000      -1.211700      -1.801600    
 C    4.022600      -1.320900       1.912100    
 C    2.837000      0.5640000       2.844300    
 C    3.598000     -0.5879000       3.020600    
 C   0.1650000       3.882400      -1.521000    
 H   -3.285600      -2.068400      -1.579100    
 H   -3.295900      -1.389600       1.410300    
 H  -0.7831000      -1.860800      0.1745000    
 H   -3.818800      0.6324000     -0.8807000    
 H   -1.669800      0.1714000      -1.958600    
 H   -3.777300      -3.638300     -1.5300000E-02
 H   -5.248000      -1.239300     -0.6561000    
 H  -0.8242000      -3.212800      -1.665900    
 H   -5.608200       1.609000       1.975700    
 H    2.748400      0.2686000      -2.979100    
 H    1.905200       1.893700       1.458800    
 H    4.705000      -2.538700     -0.4020000    
 H    4.616300      -2.218200       2.073500    
 H    4.101200      -1.782000      -2.665100    
 H    2.507300       1.134400       3.707800    
 H    3.861700     -0.9169000       4.021600    
 H   0.8152000       3.927700      -2.400900    
 H   0.7192000       4.208900     -0.6347000    
 H  -0.6538000       4.591200      -1.678100    


%chk=000176908-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176908

0 1
O -1.459048 0.284108 0.164249
O -3.445614 -3.161981 -1.094162
O -4.775761 -1.420405 0.750840
O -1.646818 -1.845833 -2.887915
O 0.106203 0.052778 -1.516932
O -4.102232 0.436015 2.654771
O -1.965160 1.353398 2.647007
O 1.941913 1.459082 -1.671506
N -0.236109 2.326376 -2.084785
C -3.146599 -1.736531 -0.947996
C -3.343146 -1.270683 0.503327
C -1.706051 -1.552690 -1.460365
C -2.843982 0.205899 0.613299
C -1.301084 -0.088665 -1.263598
C -2.857579 0.741961 2.043377
C 0.547921 1.364856 -1.765966
C 2.752761 0.466857 -1.023938
C 2.650498 0.237406 0.390963
C 3.601405 -0.687314 0.981852
C 3.722449 -0.144933 -1.811954
C 1.671997 0.862365 1.230527
C 4.591533 -1.316272 0.155852
C 4.652534 -1.048986 -1.212534
C 3.527380 -0.947013 2.390784
C 1.624423 0.581707 2.597450
C 2.560185 -0.327369 3.184574
C 0.261027 3.689768 -2.325939
H -3.834006 -1.137676 -1.586936
H -2.742748 -1.902949 1.190792
H -1.021617 -2.205504 -0.880684
H -3.517426 0.845894 -0.003602
H -1.879818 0.608111 -1.902721
H -4.365887 -3.312083 -0.756617
H -4.981844 -1.014887 1.635572
H -2.027913 -2.753545 -3.013905
H -4.118852 0.803669 3.579391
H 3.758955 0.077236 -2.882307
H 0.936217 1.549129 0.804806
H 5.303018 -2.009961 0.618728
H 4.247057 -1.645751 2.834203
H 5.410971 -1.529112 -1.839507
H 0.852103 1.052603 3.214329
H 2.512168 -0.536835 4.259060
H 0.154674 3.928545 -3.400780
H 1.318941 3.839113 -2.036725
H -0.371942 4.402404 -1.767579


