%chk=000066479.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066479

0 1
 O   8.9800000E-02   1.585800     -8.0700003E-02
 O   -4.409100      -1.293500      4.6300001E-02
 O    3.083000      -2.056000      0.7767000    
 N    1.593800     -0.5457000     -0.2363000    
 N   -3.124600      -3.560300     -0.1070000    
 C  -0.8670000     -0.5820000     -0.1110000    
 C   -2.042800      -1.334700     -7.8000002E-02
 C   -2.234100       1.560500      4.1999999E-02
 C   -3.409900      0.8078000      7.5400002E-02
 C   0.3725000      -1.226800     -0.2001000    
 C  -0.9197000      0.8931000     -5.2400000E-02
 C   -3.357200     -0.6672000      1.6799999E-02
 C   -1.979100      -2.732100     -0.1347000    
 C   0.4315000      -2.619600     -0.2562000    
 C  -0.7418000      -3.370700     -0.2237000    
 C   -2.297800       2.958000      9.8600000E-02
 C   -4.649300       1.452500      0.1652000    
 C   -3.535000       3.596400      0.1883000    
 C   -4.708300       2.845300      0.2214000    
 C    2.835600     -0.9829000      0.2371000    
 C    3.951500     -1.3600000E-02  7.9899997E-02
 C    5.012100     -7.1800001E-02  0.9594000    
 C    3.889300      0.9123000     -0.9401000    
 C    6.059100      0.8382000      0.8120000    
 C    4.936300       1.822100      -1.087600    
 C    6.021200       1.785000     -0.2115000    
 H    1.362900      -3.164300     -0.3720000    
 H  -0.6762000      -4.454800     -0.2786000    
 H   -1.399000       3.568300      7.4600004E-02
 H   -5.579800      0.8920000      0.1930000    
 H    1.513100      0.4439000     -0.4476000    
 H   -3.583700       4.680600      0.2323000    
 H   -5.670200       3.344900      0.2912000    
 H   -3.020800      -4.565700     -0.1498000    
 H   -4.050300      -3.161600     -4.2399999E-02
 H    5.055400     -0.7980000       1.765400    
 H    3.081000      0.9516000      -1.663100    
 H    6.903400      0.8102000       1.494700    
 H    4.911200       2.554500      -1.889300    
 H    6.837100       2.492500     -0.3273000    


%chk=000066479-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000066479

0 1
O 0.170861 1.570454 -0.109162
O -4.529882 -1.347281 0.008635
O 3.214213 -2.273003 0.105280
N 1.578862 -0.580443 0.013200
N -3.215505 -3.565392 0.136646
C -0.868669 -0.626695 -0.002296
C -2.106397 -1.376610 0.028386
C -2.222636 1.532172 -0.128102
C -3.433451 0.784822 -0.097777
C 0.389996 -1.321048 0.043785
C -0.908419 0.849223 -0.080664
C -3.406983 -0.698299 -0.017742
C -2.067089 -2.815054 0.105604
C 0.399173 -2.755805 0.121211
C -0.789194 -3.469789 0.150623
C -2.270952 2.948639 -0.204738
C -4.678450 1.461264 -0.144020
C -3.510472 3.612719 -0.250362
C -4.718334 2.866322 -0.219921
C 2.901695 -1.040272 0.046611
C 3.960096 0.032483 0.007487
C 5.310015 -0.408683 0.012356
C 3.688267 1.428010 -0.029741
C 6.369296 0.519418 -0.020163
C 4.752129 2.355156 -0.061755
C 6.093440 1.906929 -0.057384
H 1.366600 -3.260381 0.155502
H -0.759965 -4.564434 0.209605
H -1.324842 3.497223 -0.226680
H -5.591762 0.859456 -0.118963
H 1.381603 0.446615 -0.043652
H -3.544702 4.705787 -0.309308
H -5.681995 3.385749 -0.255633
H -3.166992 -4.580979 0.190119
H -4.108610 -3.040270 0.101714
H 5.494748 -1.487328 0.042835
H 2.664658 1.818477 -0.032459
H 7.405875 0.165260 -0.016404
H 4.533048 3.428050 -0.089537
H 6.914826 2.631739 -0.082237


