%chk=000155339.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155339

0 1
 O  -0.5824000      0.4979000      0.9199000    
 O   -1.268800      0.7215000      -1.304500    
 C   0.3809000      -2.126800      0.3346000    
 C    1.212000     -0.8986000      0.1614000    
 C   -2.893700      0.8103000      0.5070000    
 C   0.7256000      0.3575000      0.4510000    
 C   -3.980400      0.2880000     -0.4434000    
 C   0.9717000      -3.093500       1.377400    
 C   0.1461000      -2.869100     -0.9939000    
 C    2.520700      -1.020900     -0.3056000    
 C   -1.509500      0.6678000     -0.1051000    
 C    1.484000       1.498300      0.2962000    
 C   -3.120300       2.281300      0.8427000    
 C    2.792600       1.375900     -0.1711000    
 C    3.310900      0.1162000     -0.4719000    
 C   -3.827500      -1.197400     -0.7452000    
 C    3.638000       2.591500     -0.3494000    
 H  -0.6139000      -1.861700      0.7113000    
 H   -2.929000      0.2158000       1.428800    
 H   -3.965400      0.8453000      -1.388200    
 H   -4.966300      0.4530000      7.7999998E-03
 H    1.936100      -3.502900       1.058200    
 H   0.2930000      -3.936500       1.547100    
 H    1.123000      -2.585800       2.336500    
 H  -0.2923000      -2.199500      -1.742100    
 H  -0.5444000      -3.707000     -0.8481000    
 H    1.075800      -3.273100      -1.408700    
 H    2.946600      -1.991000     -0.5460000    
 H   -3.079000       2.905800     -5.6600001E-02
 H   -2.352500       2.648500       1.532600    
 H   -4.096700       2.427600       1.316000    
 H    1.070600       2.473800      0.5361000    
 H    4.329600      8.1000002E-03 -0.8347000    
 H   -2.902400      -1.411300      -1.287800    
 H   -4.661700      -1.540500      -1.365600    
 H   -3.829100      -1.786600      0.1775000    
 H    4.352700       2.458900      -1.168800    
 H    3.026200       3.465600     -0.5968000    
 H    4.193200       2.801000      0.5703000    


%chk=000155339-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000155339

0 1
O -0.600468 0.596109 0.767779
O -1.407211 0.379030 -1.424804
C 0.362364 -2.152644 0.130151
C 1.252571 -0.908908 0.085035
C -2.965328 0.923362 0.428216
C 0.768303 0.392738 0.356673
C -4.111749 0.130002 -0.247241
C 0.931149 -3.231990 1.087917
C 0.145244 -2.727561 -1.296423
C 2.629640 -1.001327 -0.246227
C -1.622937 0.591390 -0.215474
C 1.586793 1.538034 0.320041
C -3.191552 2.458761 0.320678
C 2.959283 1.426715 -0.003918
C 3.465291 0.133081 -0.293923
C -4.017052 -1.396360 -0.037894
C 3.861670 2.648289 -0.018488
H -0.625730 -1.851164 0.526583
H -2.898844 0.651797 1.498350
H -4.108400 0.358688 -1.330080
H -5.070487 0.505116 0.161678
H 1.907648 -3.612156 0.734440
H 0.239893 -4.093243 1.145939
H 1.071690 -2.830615 2.107732
H -0.287807 -1.961716 -1.962714
H -0.538404 -3.596758 -1.263657
H 1.102951 -3.065965 -1.734775
H 3.053799 -1.985894 -0.475466
H -3.243597 2.770288 -0.738094
H -2.378854 3.021365 0.813121
H -4.144553 2.729902 0.809110
H 1.141595 2.513111 0.547096
H 4.523052 0.016722 -0.559071
H -3.097722 -1.804957 -0.496820
H -4.876401 -1.911971 -0.503463
H -4.010107 -1.655198 1.037983
H 4.690745 2.527018 -0.737714
H 3.304383 3.561648 -0.291055
H 4.313138 2.822661 0.977678


