%chk=000116939.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116939

0 1
 O    4.174300     -0.4194000      8.1699997E-02
 O   -1.415800       2.583900      6.7000002E-02
 O   -2.302300      -2.684000     -2.6200000E-02
 O    3.622900       1.526700       1.162500    
 N    1.141700       2.288800      0.3665000    
 N   0.2266000      -3.255200      0.2702000    
 C  -0.4557000      0.4182000      0.1839000    
 C  -0.6883000     -0.9586000      0.1598000    
 C   0.8489000      0.9033000      0.3353000    
 C   -2.948700      0.8446000     -0.1078000    
 C   -3.181400     -0.5322000     -0.1315000    
 C   -1.577300       1.370100      5.0700001E-02
 C   -2.059800      -1.484000      1.6000000E-03
 C   0.3837000      -1.850200      0.2865000    
 C    1.914200      1.1300000E-02  0.4614000    
 C    1.682100      -1.362500      0.4369000    
 C   -4.020700       1.736300     -0.2347000    
 C   -4.486000      -1.017300     -0.2822000    
 C    3.288000      0.4755000      0.6199000    
 C    5.392200      0.1311000     -0.4332000    
 C   -5.319300       1.248600     -0.3844000    
 C   -5.551400     -0.1253000     -0.4082000    
 C    6.268200     -0.9960000     -0.9587000    
 C    5.064000       1.146400      -1.517200    
 H    2.499700      -2.071500      0.5506000    
 H   -3.869000       2.812200     -0.2195000    
 H   -4.696100      -2.083200     -0.3040000    
 H    5.930400      0.6231000      0.3865000    
 H    2.093400       2.617900      0.4495000    
 H   0.4022000       2.971000      0.2773000    
 H   -6.150500       1.940800     -0.4826000    
 H   -6.563300     -0.5023000     -0.5249000    
 H    1.035800      -3.854700      0.3663000    
 H  -0.6872000      -3.672500      0.1658000    
 H    7.220000     -0.6168000      -1.342400    
 H    6.474600      -1.720300     -0.1634000    
 H    5.759400      -1.544900      -1.758800    
 H    5.976500       1.503400      -2.006200    
 H    4.542400       2.024100      -1.124300    
 H    4.412700      0.7059000      -2.280500    


%chk=000116939-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000116939

0 1
O 4.177078 -0.240193 -0.295186
O -1.688106 2.700540 0.385259
O -2.365648 -2.741914 -0.380767
O 3.525825 1.972495 0.011022
N 0.879201 2.447199 0.226855
N 0.184910 -3.092588 -0.547647
C -0.641066 0.538857 0.019147
C -0.827963 -0.878769 -0.179831
C 0.689719 1.109161 0.039956
C -3.162826 0.820584 0.174738
C -3.344565 -0.577437 -0.023469
C -1.802984 1.420570 0.202084
C -2.176444 -1.470411 -0.205970
C 0.316355 -1.734861 -0.356946
C 1.828497 0.215853 -0.144033
C 1.620593 -1.153040 -0.333425
C -4.296147 1.656506 0.348304
C -4.654650 -1.122879 -0.046408
C 3.215809 0.751269 -0.134904
C 5.623928 0.199839 -0.322473
C -5.591974 1.108509 0.324507
C -5.772445 -0.286723 0.126210
C 6.419950 -1.010906 0.167706
C 5.973200 0.647966 -1.748266
H 2.496705 -1.794610 -0.468592
H -4.125654 2.726698 0.498552
H -4.760359 -2.200921 -0.200765
H 5.711125 1.052405 0.375813
H 1.841341 2.804827 0.226816
H 0.018441 3.011557 0.352721
H -6.463624 1.758228 0.458953
H -6.782527 -0.710086 0.108215
H 1.008051 -3.678195 -0.670242
H -0.782705 -3.461050 -0.557473
H 7.495519 -0.760075 0.202434
H 6.099664 -1.310086 1.180162
H 6.286365 -1.870857 -0.512130
H 7.035795 0.948869 -1.795660
H 5.359058 1.512508 -2.050625
H 5.813658 -0.176540 -2.465443


