%chk=000003442.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003442

0 1
 O   -3.815800       1.312600      0.3391000    
 O   -4.092800     -0.9295000      0.5897000    
 N   -1.325900       1.124800     -0.2309000    
 C    3.036500      8.8999998E-03  0.3039000    
 C    2.162100     -0.1090000     -0.9464000    
 C    4.520500      5.2499998E-02 -6.0199998E-02
 C   0.6948000     -0.1170000     -0.6016000    
 C    5.393100      0.2106000       1.174800    
 C   4.5100000E-02  -1.308400     -0.3495000    
 C  -9.9999998E-03   1.062100     -0.5347000    
 C   -1.308800      -1.284700     -3.3599999E-02
 C   -1.942600     -5.3500000E-02  1.2400000E-02
 C   -3.356200      3.0600000E-02  0.3369000    
 H    2.846600     -0.8384000      0.9749000    
 H    2.769900      0.9170000      0.8597000    
 H    2.414500      -1.023600      -1.498400    
 H    2.370200      0.7218000      -1.632900    
 H    4.801700     -0.8674000     -0.5857000    
 H    4.712400      0.8883000     -0.7430000    
 H    5.248200     -0.6252000       1.866900    
 H    5.159400       1.139900       1.704200    
 H    6.449900      0.2377000      0.8913000    
 H   0.5711000      -2.257500     -0.3918000    
 H   0.4592000       2.022100     -0.7231000    
 H   -1.833700      -2.212600      0.1676000    
 H   -4.770700       1.357200      0.5599000    


%chk=000003442-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003442

0 1
O -4.055309 1.258992 0.272941
O -4.081959 -1.012120 0.740146
N -1.402473 1.174297 -0.389169
C 3.081549 0.018935 0.280581
C 2.192434 -0.017679 -0.996009
C 4.591287 0.048837 -0.047508
C 0.713187 -0.056232 -0.668384
C 5.472763 0.084272 1.219480
C 0.065082 -1.252453 -0.264503
C -0.082917 1.122175 -0.712758
C -1.301727 -1.227112 0.073483
C -1.997753 0.006853 0.001871
C -3.449298 0.010998 0.371039
H 2.855400 -0.865711 0.909653
H 2.813638 0.908283 0.885362
H 2.471036 -0.906702 -1.596085
H 2.418643 0.872461 -1.614431
H 4.850812 -0.840688 -0.657271
H 4.810816 0.934055 -0.678462
H 5.292747 -0.804382 1.853081
H 5.254804 0.980906 1.829409
H 6.547453 0.103854 0.962151
H 0.626839 -2.192804 -0.221622
H 0.365921 2.073173 -1.027326
H -1.843317 -2.124025 0.386684
H -5.010959 1.161120 0.537147


