%chk=000095369.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095369

0 1
 O    4.505100      0.8480000     -0.3623000    
 N    3.120400      0.7593000     -0.5206000    
 C   -1.173600      0.2056000     -5.0000002E-04
 C   0.2873000      0.3960000      1.5699999E-02
 C   -1.694700      -1.012100     -0.4075000    
 C   -1.998300       1.247400      0.3920000    
 C    1.184700     -0.5996000      3.7300002E-02
 C   -3.077900      -1.192700     -0.4224000    
 C   -3.381400       1.066700      0.3772000    
 C   -3.921100     -0.1533000     -2.9999999E-02
 C    2.642700     -0.2887000      8.3499998E-02
 C    3.506600      -1.276500      0.8377000    
 H   0.6211000       1.431300      2.7200000E-02
 H   -1.077800      -1.840600     -0.7410000    
 H   -1.593200       2.203300      0.7132000    
 H   0.9195000      -1.649200      7.5599998E-02
 H   -3.498900      -2.140900     -0.7441000    
 H   -4.038200       1.876000      0.6827000    
 H   -4.998000     -0.2935000     -4.2700000E-02
 H    4.216500      -1.742200      0.1480000    
 H    4.054400     -0.7565000       1.629100    
 H    2.902900      -2.062700       1.299500    
 H    4.706600       1.660300     -0.8565000    


%chk=000095369-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095369

0 1
O 4.558380 1.028160 0.181540
N 3.091652 0.966185 0.123479
C -1.188797 0.180816 0.039110
C 0.262702 0.403394 0.079440
C -1.790548 -1.113408 0.064499
C -2.049907 1.315659 -0.029137
C 1.242178 -0.556638 0.144377
C -3.190231 -1.260035 0.022864
C -3.451856 1.169271 -0.070957
C -4.030583 -0.120737 -0.045273
C 2.690783 -0.299871 0.182190
C 3.653501 -1.465227 0.287812
H 0.590835 1.451670 0.054187
H -1.161372 -2.008861 0.117347
H -1.605796 2.318611 -0.049448
H 0.967755 -1.618851 0.173991
H -3.632709 -2.262501 0.043548
H -4.091970 2.057016 -0.123310
H -5.119222 -0.239576 -0.077558
H 4.387300 -1.437020 -0.537713
H 4.239581 -1.398862 1.222973
H 3.117256 -2.427257 0.266601
H 4.725767 2.003464 0.120540


