%chk=000045982.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045982

1 1
 O    1.358400     -0.5386000      0.8256000    
 O    2.054900      -1.526600      -1.160500    
 N  -0.3752000       2.401500      0.3756000    
 N    3.585200     -0.5411000      0.2780000    
 C  -0.2140000       1.313500     -0.6764000    
 C  -0.7391000     -2.6300000E-02 -0.2149000    
 C   0.3886000       2.009400       1.632200    
 C   0.1751000       3.713900     -0.1637000    
 C   -1.850400       2.569200      0.7103000    
 C  -0.8804000       1.795200      -1.962700    
 C   7.6600000E-02 -0.8781000      0.5128000    
 C   -2.042200     -0.3748000     -0.5336000    
 C   -2.542300      -1.607400     -0.1135000    
 C  -0.4238000      -2.110600      0.9329000    
 C   -1.733200      -2.475200      0.6196000    
 C   -3.941900      -1.998500     -0.4480000    
 C    2.322800     -0.9262000     -0.1239000    
 C    4.781100     -0.7993000     -0.4898000    
 H   0.8593000       1.238600     -0.8906000    
 H    1.435200       1.833500       1.372500    
 H   0.3413000       2.857800       2.324500    
 H  -9.2000000E-02   1.161100       2.122700    
 H  -0.5013000       4.123300     -0.9188000    
 H   0.2314000       4.425200      0.6669000    
 H    1.176600       3.539600     -0.5678000    
 H   -2.423700       2.894100     -0.1578000    
 H   -2.248800       1.654200       1.152800    
 H   -1.917200       3.360300       1.466600    
 H   -1.926900       2.096400      -1.896100    
 H  -0.3287000       2.622200      -2.422800    
 H  -0.8431000      0.9956000      -2.715700    
 H   -2.706900      0.2797000      -1.086600    
 H   0.2007000      -2.791400       1.505200    
 H   -2.110800      -3.437700      0.9547000    
 H   -4.205200      -1.676700      -1.461400    
 H   -4.074100      -3.085200     -0.4123000    
 H   -4.639300      -1.541100      0.2609000    
 H    3.677600     -4.3600000E-02   1.158400    
 H    5.216300      0.1614000     -0.7759000    
 H    4.561600      -1.387500      -1.383800    
 H    5.485400      -1.339700      0.1471000    


%chk=000045982-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045982

1 1
O 1.529565 -0.585902 0.780368
O 2.122457 -0.442508 -1.524748
N -0.552188 2.534225 0.369255
N 3.707107 -0.897894 0.162099
C -0.194206 1.339369 -0.653147
C -0.710949 0.001366 -0.145197
C -0.150646 2.114585 1.782457
C 0.258385 3.770045 -0.010633
C -2.031953 2.888451 0.361110
C -0.626120 1.655768 -2.092638
C 0.161576 -0.909064 0.507136
C -2.056224 -0.412285 -0.349033
C -2.545181 -1.660743 0.102902
C -0.296305 -2.159301 0.967474
C -1.641980 -2.526322 0.776686
C -3.981283 -2.082133 -0.142361
C 2.466400 -0.648039 -0.337391
C 4.906328 -0.952533 -0.690041
H 0.906290 1.335498 -0.618789
H 0.894349 1.770134 1.773361
H -0.267297 2.979882 2.453735
H -0.797613 1.290250 2.112265
H -0.057006 4.134265 -0.997636
H 0.084648 4.555724 0.741153
H 1.326559 3.505982 -0.032434
H -2.320616 3.236640 -0.640733
H -2.616462 2.000234 0.638026
H -2.205784 3.691480 1.094984
H -1.718717 1.659904 -2.238714
H -0.208962 2.602699 -2.473703
H -0.211523 0.849840 -2.722025
H -2.742864 0.237839 -0.904127
H 0.408086 -2.829968 1.468455
H -1.992149 -3.500018 1.137030
H -4.580460 -1.269843 -0.586781
H -4.027554 -2.945164 -0.832126
H -4.475481 -2.394355 0.795389
H 3.782293 -1.098305 1.160922
H 5.648844 -0.199996 -0.371882
H 4.606768 -0.745208 -1.728639
H 5.367468 -1.954498 -0.649332


