%chk=000020041.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020041

0 1
 O  -0.2557000      -2.514000      0.5126000    
 O    3.540000      -1.630900     -0.6428000    
 O    2.018200      -3.138900     -0.1447000    
 O   0.4769000       3.703600      0.1112000    
 O    2.493100       3.042400     -0.4680000    
 N    2.380700      -1.948000     -0.2885000    
 N    1.315800       2.798400     -0.1113000    
 C   -2.176100     -0.4893000       1.024600    
 C   -3.241200      3.2699998E-02  3.6699999E-02
 C  -0.7528000     -0.1817000      0.5922000    
 C   -3.106200     -0.5742000      -1.363800    
 C   -2.445300      7.0699997E-02   2.426800    
 C   0.1345000      -1.215000      0.3585000    
 C  -0.3853000       1.142900      0.4438000    
 C   -4.180300     -4.6200000E-02  -2.302700    
 C    1.437300     -0.9134000     -3.8100000E-02
 C   0.9176000       1.444500      4.7400001E-02
 C    1.828900      0.4163000     -0.1937000    
 H   -2.320800      -1.574200       1.097600    
 H   -3.200000       1.126600     -3.6499999E-02
 H   -4.237400     -0.2103000      0.4296000    
 H   -3.183600      -1.666000      -1.303900    
 H   -2.126500     -0.3401000      -1.794000    
 H   -3.432300     -0.2450000       2.782500    
 H   -1.701700     -0.2942000       3.144400    
 H   -2.423600       1.165600       2.449300    
 H   -1.105800       1.932800      0.6347000    
 H   -4.069300     -0.4938000      -3.295400    
 H   -5.180700     -0.2893000      -1.930700    
 H   -4.107700       1.040700      -2.410000    
 H    2.844000      0.6547000     -0.5029000    
 H   0.5048000      -3.069600      0.7430000    


%chk=000020041-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000020041

0 1
O -0.282668 -2.510428 0.540643
O 3.653243 -1.659108 -0.634909
O 2.060521 -3.206173 -0.134569
O 0.501504 3.775280 0.140687
O 2.602459 3.104396 -0.449012
N 2.460815 -1.953168 -0.280156
N 1.386877 2.863454 -0.090547
C -2.222092 -0.480528 1.065152
C -3.265452 0.042282 0.033173
C -0.792528 -0.162972 0.628426
C -3.167983 -0.622093 -1.358938
C -2.500769 0.093310 2.480543
C 0.142627 -1.220415 0.381329
C -0.355978 1.160103 0.464987
C -4.244552 -0.104206 -2.336690
C 1.487556 -0.893486 -0.021337
C 0.974629 1.449831 0.067201
C 1.911233 0.442215 -0.181144
H -2.318800 -1.579998 1.115213
H -3.168710 1.143269 -0.072528
H -4.275991 -0.139187 0.451522
H -3.264147 -1.720554 -1.245023
H -2.162953 -0.440491 -1.790114
H -3.516977 -0.188999 2.810035
H -1.780721 -0.294417 3.223214
H -2.439566 1.197602 2.490034
H -1.035654 1.998799 0.640987
H -4.160124 -0.592778 -3.324272
H -5.261867 -0.300925 -1.948938
H -4.149844 0.987171 -2.490972
H 2.934014 0.676082 -0.486198
H 0.511397 -3.126068 0.320099


