%chk=000064829.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064829

0 1
 O   0.5875000      -1.649300     -0.3566000    
 O   -2.078300      0.8292000       1.835000    
 O   -2.952800      -1.235000       1.544000    
 O    4.175800      0.1811000      0.2838000    
 O    2.958500      -1.564500       1.055400    
 N   -4.095700     -0.3668000     -0.8761000    
 C   -1.670400     -0.1568000      -1.219600    
 C  -0.3910000      0.4929000     -0.7503000    
 C   -2.887700      0.2382000     -0.3734000    
 C   0.6789000     -0.2882000     -0.3405000    
 C  -0.3144000       1.877700     -0.7403000    
 C    1.853200      0.3299000      8.9400001E-02
 C   0.8600000       2.495500     -0.3102000    
 C    1.943700       1.721700      0.1047000    
 C   -2.653200     -0.1390000       1.081900    
 C    2.997700     -0.4572000      0.5272000    
 C   0.9883000      -2.309500      -1.554600    
 H   -1.589600      -1.249800      -1.225300    
 H   -1.830100      0.1340000      -2.267000    
 H   -3.041500       1.323600     -0.4034000    
 H   -1.143700       2.495300      -1.072100    
 H   0.9301000       3.579400     -0.2983000    
 H    2.839300       2.234000      0.4463000    
 H   -4.247100     -9.3999997E-02  -1.846400    
 H   -4.902000     -2.4300000E-02 -0.3550000    
 H    2.064800      -2.194400      -1.714400    
 H   0.4426000      -1.923400      -2.421400    
 H   0.7647000      -3.374700      -1.448600    
 H   -1.940800      0.5398000       2.762100    
 H    4.946100     -0.3499000      0.5789000    


%chk=000064829-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000064829

0 1
O 0.085325 -1.349308 -0.499195
O -1.626354 -0.296141 1.782960
O -2.850404 -1.982223 0.745779
O 4.070146 0.226198 0.531987
O 2.548952 -1.350999 1.272171
N -4.259513 0.102870 -0.719401
C -1.893814 0.371157 -1.396617
C -0.504847 0.873609 -1.049022
C -2.901002 0.314133 -0.194191
C 0.501190 -0.019890 -0.565099
C -0.174173 2.233811 -1.223527
C 1.793182 0.475024 -0.194027
C 1.122086 2.725054 -0.936004
C 2.091340 1.851984 -0.422299
C -2.479866 -0.788104 0.794021
C 2.772936 -0.325746 0.576639
C 0.989999 -2.466685 -0.833491
H -1.839969 -0.638024 -1.844375
H -2.369410 1.049162 -2.126347
H -2.864070 1.282970 0.333044
H -0.940467 2.913551 -1.615509
H 1.362161 3.780278 -1.098853
H 3.086911 2.214148 -0.154135
H -4.994992 0.327146 -0.039456
H -4.385111 -0.849862 -1.085452
H 1.477501 -2.843121 0.078199
H 1.756415 -2.142825 -1.562682
H 0.336765 -3.231646 -1.281520
H -1.270012 -1.049660 2.327847
H 4.651999 -0.311364 1.133753


