%chk=000002826.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002826

0 1
 O  -0.7298000     -3.6400001E-02 -8.1000002E-03
 O    2.396900       2.763600     -0.4543000    
 O   0.9077000       2.222100       1.226600    
 O   -1.525600      -1.711200       1.356000    
 N    2.941300      -1.265200      -1.156600    
 C    3.022100      2.0000000E-02 -0.4333000    
 C    2.377400      -2.175500     -0.1416000    
 C    1.576800      0.5710000     -0.3971000    
 C    3.554800     -0.3683000      0.9550000    
 C    3.121500      -1.822000       1.148600    
 C   0.8759000      -1.844700     -4.2700000E-02
 C   0.6116000     -0.3769000      0.3344000    
 C    4.235700      -1.713700      -1.663500    
 C    1.568000       1.931600      0.2383000    
 C   -1.700900     -0.7872000      0.5769000    
 C    2.483700       4.101500      4.6000000E-02
 C   -3.045700     -0.3351000      0.1392000    
 C   -4.070900      -1.256500      7.5099997E-02
 C   -3.228700      0.9926000     -0.1894000    
 C   -5.334300     -0.8318000     -0.3359000    
 C   -4.492400       1.417200     -0.6002000    
 C   -5.545100      0.5049000     -0.6734000    
 H    3.692800      0.7272000     -0.9343000    
 H    2.493500      -3.232200     -0.4080000    
 H    1.207200      0.7160000      -1.423100    
 H    3.180200      0.2754000       1.756800    
 H    4.649600     -0.3087000      0.9760000    
 H    4.008700      -2.454600       1.270400    
 H    2.502800      -1.947000       2.043200    
 H   0.3857000      -2.079600     -0.9976000    
 H   0.4496000      -2.532300      0.6938000    
 H   0.7237000     -0.2612000       1.421100    
 H    4.615700      -1.001400      -2.404200    
 H    4.123400      -2.673100      -2.180400    
 H    4.999300      -1.835100     -0.8885000    
 H    2.876000       4.098600       1.067500    
 H    1.502200       4.583800      9.8000001E-03
 H    3.172900       4.659500     -0.5932000    
 H   -3.918200      -2.300500      0.3322000    
 H   -2.429600       1.725200     -0.1277000    
 H   -6.154000      -1.542100     -0.3936000    
 H   -4.657700       2.458700     -0.8603000    
 H   -6.529000      0.8357000     -0.9928000    


%chk=000002826-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002826

0 1
O -0.636584 -0.190567 -0.210911
O 1.727464 2.862948 -0.408875
O 1.328024 1.859564 1.652938
O -1.514144 -1.466725 1.536655
N 3.232852 -1.245301 -1.216525
C 3.171057 -0.058109 -0.310891
C 2.572579 -2.296324 -0.373061
C 1.689791 0.462978 -0.364272
C 3.567397 -0.591085 1.113515
C 3.177821 -2.107740 1.066475
C 1.048832 -2.018541 -0.405852
C 0.742897 -0.624291 0.177958
C 4.606065 -1.591618 -1.652334
C 1.542579 1.755353 0.422055
C -1.688023 -0.680211 0.571775
C 1.650516 4.185369 0.259977
C -3.010933 -0.158796 0.118113
C -4.168211 -0.571921 0.828245
C -3.135293 0.724814 -0.985674
C -5.439885 -0.105249 0.438039
C -4.410355 1.188647 -1.372766
C -5.563414 0.775737 -0.663190
H 3.840124 0.738674 -0.677587
H 2.774333 -3.297369 -0.791510
H 1.465141 0.663757 -1.424832
H 3.045644 -0.044539 1.917770
H 4.651744 -0.463843 1.278378
H 4.065326 -2.750674 1.201567
H 2.451698 -2.379178 1.852732
H 0.711865 -2.052724 -1.457577
H 0.497796 -2.784077 0.168518
H 0.773275 -0.647766 1.282419
H 5.018132 -0.757035 -2.246739
H 4.561149 -2.480484 -2.306062
H 5.319168 -1.809925 -0.821824
H 2.422752 4.264083 1.043736
H 0.656919 4.320512 0.718947
H 1.821211 4.915951 -0.542850
H -4.045951 -1.252512 1.677367
H -2.235675 1.036111 -1.523623
H -6.331773 -0.424458 0.987978
H -4.506971 1.870400 -2.224789
H -6.552141 1.138464 -0.966314


