%chk=000046504.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046504

0 1
 O    2.620800      -1.496000      -1.107700    
 O  -0.7639000      4.2700000E-02   1.760400    
 O    2.328400       2.945300      8.7000001E-03
 N    2.413000      0.7376000     -0.6274000    
 N   0.7226000       1.506100      0.8059000    
 C   0.5297000     -0.7539000     -0.1296000    
 C   0.3690000      -2.170600      0.4408000    
 C  -0.4126000     -0.5807000      -1.334200    
 C    1.953200     -0.5707000     -0.6461000    
 C   0.1059000      0.2691000      0.9196000    
 C    1.309400      -2.399100       1.604200    
 C   -1.840400     -0.6711000     -0.9058000    
 C    1.844900       1.812500      4.5699999E-02
 C   -2.722600      0.3279000      -1.056300    
 C   -4.151000      0.2542000     -0.6043000    
 C   -4.306200      0.7467000      0.8261000    
 H   0.5688000      -2.926500     -0.3294000    
 H  -0.6453000      -2.360300      0.8081000    
 H  -0.2192000      -1.355500      -2.087600    
 H  -0.2232000      0.3779000      -1.835800    
 H    2.362600      -2.324500       1.319400    
 H    1.130900      -1.704200       2.430100    
 H    1.160500      -3.409900       2.000500    
 H   -2.196500      -1.611000     -0.4935000    
 H    3.301200      0.9135000      -1.088800    
 H   0.3644000       2.248300       1.400500    
 H   -2.394800       1.273700      -1.480400    
 H   -4.769800      0.8579000      -1.277900    
 H   -4.522500     -0.7749000     -0.6766000    
 H   -3.958100       1.780000      0.9298000    
 H   -5.359100      0.7131000       1.124200    
 H   -3.738700      0.1235000       1.525300    


%chk=000046504-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046504

0 1
O 2.538479 -1.402362 -1.437252
O -0.659367 0.027727 1.882581
O 2.563775 2.937065 0.232642
N 2.492549 0.757576 -0.613284
N 0.882483 1.479751 0.956580
C 0.580198 -0.778190 -0.085959
C 0.492888 -2.230247 0.462285
C -0.468094 -0.568833 -1.284841
C 1.948564 -0.535986 -0.741985
C 0.222115 0.231628 1.011093
C 1.520637 -2.546916 1.569083
C -1.915417 -0.736614 -0.891641
C 2.012398 1.809454 0.189182
C -2.841499 0.255218 -0.963540
C -4.293521 0.121923 -0.561028
C -4.653561 1.065304 0.617475
H 0.638241 -2.918231 -0.390191
H -0.526197 -2.378044 0.858168
H -0.176160 -1.317134 -2.048069
H -0.315851 0.434542 -1.727775
H 2.557874 -2.435860 1.204827
H 1.378954 -1.894508 2.449758
H 1.400916 -3.590814 1.909621
H -2.225417 -1.729444 -0.537011
H 3.353148 0.955389 -1.134462
H 0.567076 2.200892 1.613745
H -2.527528 1.253694 -1.312225
H -4.944980 0.364234 -1.425902
H -4.509701 -0.926248 -0.279933
H -4.472333 2.123087 0.349661
H -5.719512 0.963295 0.891498
H -4.039759 0.829751 1.504798


