%chk=000091117.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091117

0 1
 O   -2.462700       1.051300      -1.460800    
 O    4.826000       1.524400     -7.7600002E-02
 N   -1.201600     -0.3906000     -0.1768000    
 N    1.583500     -0.1586000      0.3842000    
 C  -0.2495000     -0.7959000      -1.194800    
 C  -0.6931000     -0.9386000       1.071800    
 C  -2.3100000E-02  -2.274800     -0.8515000    
 C  -0.3166000      -2.370100      0.6602000    
 C    1.026700      4.6900000E-02 -0.9694000    
 C   0.5549000     -0.1051000       1.444300    
 C   -2.233400      0.4991000     -0.3836000    
 C    2.680400      0.7635000      0.6565000    
 C   -3.109500      0.7688000      0.8118000    
 C    3.788800      0.5975000     -0.3707000    
 C   -4.170800       1.782200      0.4564000    
 H  -0.6421000     -0.6483000      -2.205500    
 H   -1.429200     -0.9180000       1.879000    
 H   0.9811000      -2.626800      -1.107800    
 H  -0.7416000      -2.901300      -1.393800    
 H   -1.168900      -3.042500      0.8154000    
 H   0.5286000      -2.771600       1.228000    
 H    1.743500     -0.2681000      -1.734500    
 H   0.7906000       1.107100      -1.130600    
 H   0.2489000      0.9346000       1.621700    
 H   0.9783000     -0.4931000       2.378200    
 H    3.099700      0.5712000       1.652500    
 H    2.337800       1.806700      0.6684000    
 H   -3.578400     -0.1676000       1.131800    
 H   -2.496100       1.157400       1.631300    
 H    3.464700      0.8252000      -1.388900    
 H    4.207200     -0.4143000     -0.3439000    
 H   -4.805400       1.984600       1.325100    
 H   -4.816500       1.421200     -0.3515000    
 H   -3.728400       2.732100      0.1371000    
 H    5.527300       1.387500     -0.7371000    


%chk=000091117-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000091117

0 1
O -2.695125 0.940333 -1.523067
O 5.137965 1.100875 0.157790
N -1.265103 -0.299227 -0.187981
N 1.565619 0.005087 0.253748
C -0.300464 -0.649777 -1.260012
C -0.640116 -0.825019 1.051043
C 0.021491 -2.138206 -0.934426
C -0.199112 -2.256054 0.613691
C 0.943509 0.257817 -1.074866
C 0.585676 0.074405 1.367802
C -2.384162 0.491796 -0.372639
C 2.785157 0.805628 0.503267
C -3.230081 0.776377 0.881834
C 4.004425 0.252474 -0.248449
C -4.507369 1.568953 0.552620
H -0.761200 -0.480728 -2.245319
H -1.342367 -0.823419 1.899494
H 1.057858 -2.389275 -1.214980
H -0.665530 -2.803260 -1.485786
H -0.993828 -2.985933 0.847765
H 0.723962 -2.559176 1.134891
H 1.683854 0.037016 -1.865142
H 0.624849 1.322977 -1.193937
H 0.217999 1.116526 1.551982
H 1.083123 -0.276704 2.291638
H 3.016629 0.768226 1.583604
H 2.653148 1.881327 0.234691
H -3.490589 -0.183810 1.371319
H -2.610553 1.336237 1.612204
H 3.851713 0.302364 -1.347283
H 4.161807 -0.806692 0.041932
H -5.074860 1.789257 1.475058
H -5.155741 1.000831 -0.135566
H -4.258614 2.518671 0.050441
H 5.957132 0.806102 -0.312464


