%chk=000056388.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056388

0 1
 O   0.9614000      0.7517000      -1.055400    
 O  -0.5438000       2.371600      0.6278000    
 O    3.961400      -1.993300      5.8699999E-02
 O    3.367300       1.533500     -0.2272000    
 N    4.159100     -0.6000000      9.5200002E-02
 C   -4.530200     -0.2930000     -0.2839000    
 C   -3.079200     -1.4400000E-02 -0.4857000    
 C   -4.781100      -1.248100      0.8915000    
 C   -2.477600       1.059500      0.1703000    
 C   -2.323900     -0.8274000      -1.330800    
 C   -1.120400       1.320600     -1.8900000E-02
 C  -0.3766000      0.5053000     -0.8623000    
 C  -0.9668000     -0.5664000      -1.520000    
 C   -6.264000      -1.500400       1.112800    
 C    1.863700     -0.2747000     -0.6944000    
 C    3.194500      0.3137000     -0.2591000    
 C   1.1900000E-02   2.114300       1.916000    
 C    5.488000     -0.2290000      0.5460000    
 C    3.456400      -2.423500       1.319500    
 H   -4.958500     -0.7150000      -1.202400    
 H   -5.067200      0.6499000     -0.1168000    
 H   -4.349200     -0.8330000       1.810500    
 H   -4.277000      -2.205200      0.7100000    
 H   -3.061400       1.695700      0.8313000    
 H   -2.781000      -1.667200      -1.847500    
 H  -0.3911000      -1.202300      -2.186400    
 H   -6.411100      -2.184300       1.954500    
 H   -6.721200      -1.949600      0.2255000    
 H   -6.790900     -0.5674000       1.336500    
 H    1.456800     -0.8691000      0.1303000    
 H    2.035900     -0.9222000      -1.561200    
 H   0.7967000       1.354000       1.854900    
 H  -0.7693000       1.792200       2.611800    
 H   0.4530000       3.042100       2.290200    
 H    5.635000      0.8526000      0.4929000    
 H    6.225100     -0.7283000     -8.9199997E-02
 H    5.620200     -0.5577000       1.580200    
 H    4.289400      -2.583500       2.010600    
 H    2.749400      -1.713600       1.760000    
 H    2.943800      -3.378100       1.172600    


%chk=000056388-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056388

0 1
O 0.920994 0.617189 0.312600
O -1.108481 2.583659 0.789520
O 4.123555 -1.846860 -0.504214
O 3.437243 1.437749 0.797676
N 4.379718 -0.590777 0.192086
C -4.687098 -0.546652 -0.510240
C -3.203618 -0.270891 -0.313811
C -5.423855 -0.887752 0.815604
C -2.762940 0.987306 0.166058
C -2.229350 -1.265651 -0.563928
C -1.398608 1.272286 0.391418
C -0.428010 0.257763 0.116925
C -0.856334 -1.006255 -0.349273
C -6.927696 -1.160692 0.601847
C 1.932107 -0.380483 0.023021
C 3.286988 0.260127 0.369889
C -0.013088 2.845743 1.752458
C 5.773704 -0.136175 0.177410
C 4.315077 -2.992427 0.422421
H -4.823128 -1.389384 -1.216610
H -5.180503 0.334178 -0.968075
H -5.289923 -0.050399 1.528395
H -4.940833 -1.770517 1.279145
H -3.478038 1.791518 0.372943
H -2.538824 -2.248856 -0.937391
H -0.124825 -1.789085 -0.573950
H -7.432593 -1.402092 1.555214
H -7.083501 -2.011721 -0.088246
H -7.433563 -0.278788 0.164985
H 1.777825 -1.297794 0.628983
H 1.917683 -0.674867 -1.045637
H 0.973433 2.636019 1.312211
H -0.149879 2.236007 2.666271
H -0.121237 3.913966 1.997143
H 5.779460 0.893795 0.568508
H 6.170039 -0.142080 -0.854225
H 6.407291 -0.772119 0.820618
H 5.367146 -3.060456 0.754127
H 3.646333 -2.908761 1.298323
H 4.054827 -3.875767 -0.181801


