%chk=000046124.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046124

0 1
 O   -1.958600     -0.2776000     -0.7608000    
 O    3.582600       2.274100      0.5525000    
 O    4.213500      0.1718000      0.5171000    
 O  -0.8625000       3.578600     -0.2473000    
 O   -2.427900       2.100100     -0.6747000    
 O   -2.364300     -0.4431000       1.522900    
 N    3.333900       1.055800      0.4077000    
 N   -1.238000       2.394000     -0.4123000    
 N   -4.063000     -0.7854000     -1.9800000E-02
 C   0.2961000      -1.014500     -0.3642000    
 C    1.640900     -0.6873000     -6.8400003E-02
 C  -0.6527000      1.4800000E-02 -0.4758000    
 C    1.997300      0.6598000      0.1071000    
 C  -0.2809000       1.347700     -0.2981000    
 C    1.041500       1.669600     -7.3000002E-03
 C  -6.0199998E-02  -2.361400     -0.5399000    
 C    2.589600      -1.716800      4.3099999E-02
 C   0.8955000      -3.371400     -0.4254000    
 C    2.217800      -3.049700     -0.1344000    
 C   -2.769500     -0.4989000      0.3655000    
 C   -5.131400      -1.060300      0.9124000    
 H    1.323100       2.710900      0.1296000    
 H   -1.082000      -2.652000     -0.7728000    
 H    3.641900      -1.664800      0.2582000    
 H   0.6071000      -4.409300     -0.5647000    
 H    2.958300      -3.840200     -4.6700001E-02
 H   -4.275600     -0.8026000      -1.012500    
 H   -5.529400      -2.053600      0.6917000    
 H   -5.915900     -0.3148000      0.7611000    
 H   -4.778700      -1.022900       1.945800    


%chk=000046124-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046124

0 1
O -1.910912 -0.842923 -0.360734
O 3.418164 2.538891 0.460209
O 4.430960 0.530834 0.166908
O -1.090547 3.318119 0.257721
O -2.564612 1.824064 -0.623417
O -2.744819 -0.005766 1.715579
N 3.370724 1.266477 0.243748
N -1.407752 2.131754 -0.131443
N -4.163721 -0.776497 -0.009148
C 0.451402 -1.235343 -0.244231
C 1.828804 -0.786404 -0.120254
C -0.644427 -0.297969 -0.210307
C 2.030218 0.636774 0.073353
C -0.371283 1.079309 -0.058604
C 0.961931 1.529074 0.105428
C 0.164672 -2.630503 -0.400229
C 2.861745 -1.778897 -0.177094
C 1.195320 -3.568372 -0.448006
C 2.547905 -3.133151 -0.339381
C -2.984509 -0.451106 0.580313
C -5.453313 -0.555724 0.657803
H 1.148018 2.596741 0.245549
H -0.880554 -2.937497 -0.482261
H 3.899726 -1.462447 -0.091235
H 0.968355 -4.632466 -0.567029
H 3.359333 -3.867651 -0.378988
H -4.135578 -1.052745 -0.991358
H -6.054340 -1.481912 0.660314
H -6.022701 0.248469 0.158225
H -5.259710 -0.252534 1.698169


