%chk=000022178.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022178

0 1
 O   -2.792300       1.267700      1.9600000E-02
 O   -2.775600      -1.506000      0.1602000    
 N    3.224500     -0.9004000      0.3201000    
 C    2.108600       1.340100      0.4220000    
 C    3.260600      0.4982000     -0.1414000    
 C   0.7966000      0.6244000      0.2991000    
 C   0.7870000     -0.7693000      0.3689000    
 C  -0.4176000       1.305700      0.1953000    
 C    3.310500      0.5132000      -1.669600    
 C    2.075100      -1.453700      0.5084000    
 C  -0.4020000      -1.494000      0.3326000    
 C   -1.616400      0.5902000      0.1453000    
 C   -1.608100     -0.8052000      0.2142000    
 C   -2.716100       2.690200     -4.4000000E-02
 C   -3.234700      -1.901000      -1.130700    
 H    2.071900       2.311900     -8.4200002E-02
 H    2.284800       1.530700       1.488400    
 H    4.197200      0.9399000      0.2209000    
 H  -0.3632000       2.388400      0.1616000    
 H    4.174700     -5.5300001E-02  -2.030400    
 H    2.416200      6.2899999E-02  -2.113200    
 H    3.398900       1.537400      -2.046300    
 H    2.051100      -2.516600      0.8015000    
 H  -0.3956000      -2.578800      0.3907000    
 H   -2.169800       3.026500     -0.9318000    
 H   -2.312600       3.115000      0.8815000    
 H   -3.741000       3.063000     -0.1430000    
 H   -4.178200      -2.440000      -1.008700    
 H   -2.509800      -2.568100      -1.607900    
 H   -3.411500      -1.024600      -1.762200    


%chk=000022178-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000022178

0 1
O -2.828647 1.075874 -0.157234
O -2.661916 -1.741209 0.125323
N 3.409870 -0.895301 0.384219
C 2.194978 1.356213 0.444578
C 3.404772 0.533961 -0.081334
C 0.883960 0.606515 0.266521
C 0.926103 -0.810232 0.387123
C -0.354499 1.248035 0.068460
C 3.505100 0.528385 -1.626412
C 2.240547 -1.462219 0.569251
C -0.274463 -1.557144 0.306844
C -1.558122 0.501234 -0.003692
C -1.516418 -0.925918 0.105938
C -2.919917 2.539068 -0.174119
C -3.597404 -1.633128 -1.014866
H 2.164916 2.343192 -0.054495
H 2.345844 1.548583 1.528297
H 4.333426 0.983579 0.316672
H -0.378705 2.340032 -0.010607
H 4.349522 -0.106555 -1.946080
H 2.581821 0.129231 -2.083799
H 3.673233 1.552301 -2.007945
H 2.247163 -2.524532 0.861289
H -0.266559 -2.649047 0.397048
H -2.386024 2.966482 -1.044610
H -2.519280 2.973414 0.761491
H -3.994915 2.757177 -0.254601
H -4.372978 -2.387980 -0.814825
H -3.076987 -1.871844 -1.962787
H -4.041222 -0.625770 -1.068745


