%chk=000057629.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057629

0 1
 O  -0.3421000      -2.326300      0.3238000    
 O   -2.400100      -1.252600      -1.592200    
 O   -3.928200       2.067700       1.063500    
 N    1.278400       1.835400     -0.7313000    
 N   -2.776200     -0.5213000      0.6077000    
 C    1.787100     -0.1982000      3.2000002E-02
 C   0.3949000     -0.1449000     -0.2573000    
 C    2.317700       1.056700     -0.2743000    
 C   0.1124000       1.118000     -0.7244000    
 C    2.649600      -1.196800      0.5265000    
 C  -0.5815000      -1.186300     -0.1078000    
 C    3.673100       1.364200     -0.1103000    
 C    4.007500     -0.9036000      0.6957000    
 C    4.509400      0.3579000      0.3816000    
 C   -2.040000     -0.9886000     -0.4566000    
 C   -4.193400     -0.2558000      0.5251000    
 C   -4.468700       1.174500      9.8399997E-02
 H  -0.8090000       1.578600      -1.053900    
 H    1.364700       2.797500      -1.028500    
 H    2.280900      -2.186700      0.7778000    
 H    4.064600       2.346000     -0.3546000    
 H    4.677500      -1.669900       1.076700    
 H   -4.603400     -0.4420000       1.523200    
 H   -4.650200     -0.9559000     -0.1818000    
 H    5.567600      0.5639000      0.5208000    
 H   -2.311200     -0.3447000       1.493600    
 H   -5.546600       1.349300      2.8700000E-02
 H   -4.008800       1.393500     -0.8708000    
 H   -4.125400       2.969800      0.7589000    


%chk=000057629-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057629

0 1
O -0.621606 -0.570357 1.366473
O -2.064611 0.815932 -1.637316
O -5.141664 -0.146409 2.152970
N 2.134829 1.070478 -2.015462
N -3.008634 -0.138979 0.278534
C 1.995804 0.104247 0.054725
C 0.644901 0.314575 -0.468480
C 2.910929 0.588249 -0.937932
C 0.790005 0.909991 -1.741547
C 2.509031 -0.442804 1.256911
C -0.592243 -0.029277 0.206637
C 4.309991 0.546393 -0.775181
C 3.908637 -0.489858 1.430175
C 4.798259 -0.002710 0.430062
C -1.951547 0.264899 -0.492812
C -4.405656 0.031788 -0.119135
C -5.208588 0.739084 0.975398
H -0.002072 1.208432 -2.424422
H 2.510124 1.477205 -2.870878
H 1.821232 -0.814779 2.020312
H 4.995039 0.920274 -1.544005
H 4.323697 -0.910040 2.352909
H -4.869559 -0.954808 -0.314157
H -4.420258 0.615640 -1.056166
H 5.879544 -0.055052 0.598351
H -2.789158 -0.558326 1.191115
H -6.257624 0.872675 0.637875
H -4.762022 1.730723 1.194145
H -5.536182 0.302213 2.941098


