%chk=000029551.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029551

0 1
 O    1.553300       2.413300      0.3118000    
 O    1.666300      -2.375000     -0.3359000    
 O   -5.390900     -0.1840000      0.2559000    
 O    3.562600       2.487500     -0.8093000    
 O    3.753200      -2.344100      0.6354000    
 N   0.1641000     -2.4000000E-02  5.4200001E-02
 N    3.441500       2.889800       1.451400    
 N    3.490000      -2.731800      -1.615700    
 C   0.8403000      0.5854000      -1.073800    
 C   0.9543000     -0.6038000       1.121900    
 C   -1.244700     -6.4099997E-02  0.1056000    
 C   0.8829000       2.094200     -0.9011000    
 C    1.069500      -2.105900      0.9265000    
 C   -1.886400     -0.6647000       1.188800    
 C   -1.996600      0.4964000     -0.9271000    
 C   -3.279700     -0.7047000       1.239400    
 C   -3.389800      0.4563000     -0.8766000    
 C   -4.031500     -0.1443000      0.2066000    
 C    2.908000       2.587100      0.2231000    
 C    3.031500      -2.471500     -0.3479000    
 C   -6.097900      0.4077000     -0.8331000    
 H   0.4020000      0.2962000      -2.035300    
 H    1.872600      0.2167000      -1.122200    
 H   0.5727000     -0.3490000       2.116700    
 H    1.964200     -0.1754000       1.099800    
 H  -0.1177000       2.530600     -0.8312000    
 H    1.363000       2.569500      -1.764900    
 H   9.2100002E-02  -2.597300      0.9238000    
 H    1.637300      -2.561000       1.746800    
 H   -1.362700      -1.116800       2.023400    
 H   -1.560100      0.9747000      -1.796800    
 H   -3.774900      -1.173500       2.085400    
 H   -3.913000      0.9096000      -1.711700    
 H   -7.166600      0.2860000     -0.6288000    
 H   -5.891500     -0.1104000      -1.775700    
 H   -5.905800       1.484000     -0.9001000    
 H    2.857700       2.959800       2.278000    
 H    4.435900       3.051200       1.570300    
 H    2.852100      -2.827700      -2.398600    
 H    4.480500      -2.834800      -1.808600    


%chk=000029551-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029551

0 1
O 1.929358 2.325935 0.235852
O 2.071013 -2.284808 -0.255674
O -5.730516 -0.291327 0.219665
O 3.708153 1.744630 -1.210011
O 3.861368 -1.563754 1.110613
N -0.042491 -0.050694 0.028757
N 4.048483 2.281871 1.052303
N 4.145708 -2.096337 -1.160557
C 0.681405 0.594420 -1.074671
C 0.757021 -0.645064 1.108774
C -1.453287 -0.088733 0.052341
C 0.973908 2.097263 -0.880189
C 1.149848 -2.122762 0.900187
C -2.164314 -0.894197 1.000101
C -2.240467 0.669400 -0.865135
C -3.568184 -0.929373 1.026050
C -3.652556 0.625285 -0.847747
C -4.328293 -0.173338 0.102833
C 3.285888 2.083336 -0.073909
C 3.417968 -1.942842 -0.004486
C -6.539280 0.478307 -0.722436
H 0.110639 0.473620 -2.015548
H 1.639583 0.071980 -1.232644
H 0.207683 -0.567313 2.066402
H 1.679590 -0.055400 1.240546
H 0.076586 2.656459 -0.572696
H 1.400622 2.520794 -1.808563
H 0.283495 -2.746829 0.631296
H 1.645768 -2.511362 1.809291
H -1.623812 -1.516035 1.719587
H -1.761149 1.321426 -1.601229
H -4.096625 -1.552153 1.754930
H -4.204940 1.228801 -1.574967
H -7.583909 0.245917 -0.466520
H -6.338443 0.178532 -1.770772
H -6.363919 1.567554 -0.613402
H 3.606579 2.515481 1.938236
H 5.041445 2.070925 1.011810
H 3.686369 -2.373743 -2.024713
H 5.121505 -1.813673 -1.163304


