%chk=000072246.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072246

0 1
 O    2.231100     -0.2442000     -0.9133000    
 O    2.200700      0.5089000       2.000800    
 O    4.743300      -1.467900     -0.7236000    
 N  -9.8899998E-02 -0.1361000     -0.4550000    
 N   -1.347700      -1.874600      0.1666000    
 N   -1.805200       1.589700     -0.5536000    
 N   -3.999500      0.7007000      3.9000001E-02
 N   -4.339400      -1.592900      0.6315000    
 C    1.090100      0.6275000     -0.8407000    
 C    2.642800       1.246900      0.8698000    
 C    1.432700       1.764300      0.1220000    
 C    3.306900      0.3597000     -0.1737000    
 C    4.215500     -0.7287000      0.3660000    
 C   -1.374500      0.3374000     -0.3397000    
 C  -0.1336000      -1.468900     -0.1416000    
 C   -2.133400     -0.7558000      4.6999998E-02
 C   -3.494600     -0.5407000      0.2375000    
 C   -3.136300       1.674400     -0.3387000    
 H   0.8827000       1.009200      -1.847300    
 H    3.300600       2.044600       1.225200    
 H   0.6110000       2.057100      0.7820000    
 H    1.724800       2.642500     -0.4670000    
 H    3.854600      0.9793000     -0.8958000    
 H    3.663700      -1.438000      0.9900000    
 H    5.042600     -0.3129000      0.9491000    
 H   0.7437000      -2.101500     -0.1484000    
 H    1.671400     -0.2448000       1.691800    
 H    5.267200     -0.8561000      -1.268500    
 H   -3.574600       2.655300     -0.4884000    
 H   -3.964800      -2.520000      0.7813000    
 H   -5.324900      -1.411200      0.7645000    


%chk=000072246-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000072246

0 1
O 2.414034 0.056133 -1.350671
O 1.830005 0.945185 1.867141
O 4.280338 -1.919248 -0.138878
N 0.109483 -0.043291 -0.690211
N -1.071432 -1.979857 -0.302856
N -1.658734 1.619627 -0.080400
N -3.740457 0.521291 0.640665
N -3.987513 -1.827945 0.731712
C 1.184753 0.826466 -1.273638
C 2.491587 1.460811 0.661473
C 1.501801 2.040172 -0.379466
C 3.261586 0.366617 -0.145982
C 3.578872 -0.905514 0.652744
C -1.166303 0.355255 -0.252181
C 0.094708 -1.454676 -0.721127
C -1.869104 -0.857498 -0.010078
C -3.210607 -0.735689 0.459916
C -2.951564 1.604271 0.365825
H 0.894500 1.090228 -2.304366
H 3.183335 2.223656 1.050220
H 0.605041 2.487133 0.077923
H 2.006213 2.801135 -1.000341
H 4.199106 0.793304 -0.558271
H 2.656244 -1.401071 0.988123
H 4.157955 -0.614696 1.554619
H 0.965216 -2.016953 -1.049655
H 0.999085 0.467758 1.613537
H 5.107887 -1.529854 -0.520029
H -3.416817 2.581670 0.524685
H -3.610362 -2.764108 0.598754
H -4.940855 -1.687111 1.059611


