%chk=000127845.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127845

0 1
 O    1.165100      0.3083000      -2.463400    
 O   -1.077100     -0.7205000      -1.538600    
 O   -3.098200     -0.5168000     -3.0000001E-04
 O   -2.955800      0.8564000       1.818100    
 N   -1.127300      0.6526000      0.3692000    
 C   0.8944000      0.6002000      -1.087400    
 C   0.8683000       2.132000     -0.9423000    
 C   0.4147000       2.600200      0.4378000    
 C  -0.3020000       1.509700       1.224300    
 C  -0.5324000      9.3800001E-02 -0.7909000    
 C    1.961500     -0.1646000     -0.3113000    
 C    1.753600      -1.501600      3.0099999E-02
 C    3.147000      0.4718000      5.8400001E-02
 C   -2.442100      0.3704000      0.8115000    
 C    2.729300      -2.201000      0.7403000    
 C    4.122900     -0.2276000      0.7685000    
 C    3.914000      -1.564000       1.109400    
 C   -4.434900     -0.8583000      0.3848000    
 C   -5.001000      -1.840900     -0.6180000    
 H   0.1538000       2.534700      -1.676500    
 H    1.817800       2.600900      -1.224400    
 H    1.272200       2.957900       1.019600    
 H  -0.2517000       3.462600      0.3127000    
 H   0.4269000      0.8609000       1.723200    
 H  -0.8953000       1.969900       2.021200    
 H   0.5319000      0.8022000      -3.011900    
 H   0.8504000      -2.032900     -0.2533000    
 H    3.352200       1.505400     -0.1976000    
 H    2.568500      -3.242500       1.003000    
 H    5.046900      0.2670000       1.053800    
 H    4.674500      -2.109000       1.661100    
 H   -4.422200      -1.312700       1.381600    
 H   -5.051400      4.7200002E-02  0.4041000    
 H   -6.023600      -2.124200     -0.3538000    
 H   -5.002400      -1.407400      -1.623500    
 H   -4.383900      -2.744300     -0.6625000    


%chk=000127845-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127845

0 1
O 1.195616 0.386764 -2.577701
O -1.071973 -0.635185 -1.698602
O -3.110123 -0.514723 0.000472
O -2.848976 0.839518 1.879043
N -1.090457 0.616420 0.329093
C 0.920256 0.668921 -1.164934
C 0.901171 2.207482 -0.996534
C 0.386809 2.654112 0.401825
C -0.238029 1.486785 1.200079
C -0.519882 0.134777 -0.863757
C 1.960123 -0.083733 -0.305973
C 1.853028 -1.493854 -0.176422
C 3.065859 0.570665 0.289048
C -2.405048 0.339512 0.815125
C 2.823013 -2.228782 0.536626
C 4.042132 -0.164198 0.999405
C 3.923880 -1.565997 1.128754
C -4.504665 -0.829382 0.460453
C -5.082193 -1.789127 -0.572684
H 0.239506 2.589764 -1.793041
H 1.904466 2.610497 -1.217410
H 1.208697 3.064028 1.017279
H -0.360875 3.458341 0.283624
H 0.551930 0.857742 1.645245
H -0.882056 1.855685 2.011741
H 0.517442 -0.293510 -2.863983
H 1.011934 -2.019488 -0.644151
H 3.181826 1.655455 0.194237
H 2.724214 -3.316294 0.627259
H 4.894776 0.357359 1.448753
H 4.680004 -2.135328 1.680610
H -4.442621 -1.270794 1.471252
H -5.067189 0.119068 0.527254
H -6.116141 -2.059758 -0.290811
H -5.100646 -1.325005 -1.572875
H -4.481205 -2.711939 -0.631298


