%chk=000047588.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047588

0 1
 O   0.1255000     -0.1047000      -1.934500    
 O    2.105500      -2.816800       1.340200    
 O    4.062700      -2.596600      0.2175000    
 N   0.8821000     -0.8819000      0.1184000    
 C    2.268500      -1.032500     -0.2561000    
 C   -1.453200     -0.3596000     -0.1170000    
 C   -2.530100      0.1425000      -1.077000    
 C    3.034200      0.2533000     -5.0900001E-02
 C  -8.2699999E-02 -0.4242000     -0.7672000    
 C   -3.879500      0.2175000     -0.4109000    
 C    2.724800       1.061800       1.031000    
 C    4.031500      0.5998000     -0.9481000    
 C    2.925700      -2.204800      0.4518000    
 C   -4.719800     -0.8858000     -0.4460000    
 C   -4.261000       1.388400      0.2280000    
 C    3.431800       2.249100       1.220700    
 C    4.738600       1.787100     -0.7582000    
 C   -5.969000     -0.8167000      0.1708000    
 C   -5.510100       1.457400      0.8450000    
 C    4.438700       2.611800      0.3262000    
 C   -6.364100      0.3549000      0.8164000    
 H    2.270800      -1.290200      -1.323800    
 H   -1.706800      -1.362900      0.2475000    
 H   -1.384700      0.3009000      0.7565000    
 H   -2.588200     -0.5118000      -1.956900    
 H   -2.257700       1.131500      -1.468900    
 H   0.6113000      -1.112100       1.070700    
 H    1.957200      0.7956000       1.751400    
 H    4.273800     -3.5999998E-02  -1.794700    
 H   -4.420500      -1.803400     -0.9445000    
 H   -3.602300       2.251700      0.2575000    
 H    3.201200       2.889600       2.067000    
 H    5.523100       2.069400      -1.454300    
 H   -6.633700      -1.675300      0.1491000    
 H   -5.817600       2.369500       1.348200    
 H    4.990000       3.535700      0.4746000    
 H   -7.336500      0.4085000       1.297000    
 H    2.538500      -3.585100       1.769800    


%chk=000047588-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047588

0 1
O 0.170899 0.165071 -1.844702
O 2.393031 -2.608114 1.444204
O 3.805399 -2.900711 -0.380847
N 0.865380 -0.854645 0.120576
C 2.259804 -0.966992 -0.341062
C -1.488419 -0.130301 -0.047788
C -2.615738 -0.355525 -1.092777
C 3.120883 0.257015 0.027713
C -0.098223 -0.258030 -0.677413
C -3.989372 -0.030180 -0.526076
C 3.510589 0.504229 1.368392
C 3.498056 1.167049 -0.988164
C 2.908754 -2.246799 0.181434
C -4.844634 -1.053515 -0.043283
C -4.433459 1.315960 -0.441342
C 4.270996 1.650616 1.686303
C 4.258585 2.314063 -0.668520
C -6.107905 -0.743914 0.511574
C -5.694319 1.631065 0.111821
C 4.647909 2.557868 0.668409
C -6.536811 0.600785 0.592323
H 2.227909 -1.042088 -1.442054
H -1.608928 -0.821197 0.808434
H -1.578723 0.897620 0.356389
H -2.580442 -1.405272 -1.439271
H -2.384259 0.278323 -1.967958
H 0.640415 -1.194332 1.057557
H 3.221907 -0.197054 2.160541
H 3.178350 0.985868 -2.020150
H -4.521070 -2.100103 -0.109748
H -3.789522 2.118990 -0.822681
H 4.572006 1.836186 2.723494
H 4.543738 3.015908 -1.459834
H -6.757193 -1.548944 0.874652
H -6.022955 2.675486 0.162936
H 5.239288 3.446546 0.915694
H -7.516929 0.843087 1.018366
H 2.853006 -3.428420 1.769157


