%chk=000083211.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083211

0 1
 O   -2.599600      4.6300001E-02  0.5301000    
 O    2.563600      -2.683000     -0.2997000    
 O   0.6023000      -2.233600      0.5781000    
 O   -3.658600     -2.3399999E-02  -1.521800    
 N    1.087900      0.5043000      0.3217000    
 N    2.847400       1.563400     -0.4852000    
 N    1.697000      -1.842700      7.9000004E-02
 C  -0.2296000      0.3025000      0.9207000    
 C    1.655500       1.707900      5.0099999E-02
 C    1.950900     -0.4734000     -5.4699998E-02
 C   -1.335300      0.2035000     -0.1217000    
 C    3.037400      0.2059000     -0.5538000    
 C   0.9830000       2.991200      0.3384000    
 C   -3.677500     -5.4699998E-02 -0.2988000    
 C   -4.924200     -0.2143000      0.5175000    
 H  -0.2216000     -0.5145000       1.644300    
 H  -0.4328000       1.173500       1.556900    
 H   -1.360800       1.109900     -0.7381000    
 H   -1.163000     -0.6550000     -0.7814000    
 H    3.950000     -0.2072000     -0.9597000    
 H    1.582200       3.826000     -4.0100001E-02
 H   2.3000001E-03   3.048000     -0.1424000    
 H   0.8606000       3.136600       1.416000    
 H   -5.061200      0.6591000       1.159900    
 H   -4.861400      -1.126800       1.115800    
 H   -5.787000     -0.2943000     -0.1500000    


%chk=000083211-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000083211

0 1
O -2.635059 0.056661 0.538843
O 2.813918 -2.629664 -0.274667
O 0.663504 -2.335933 0.465802
O -3.705328 -0.107121 -1.523379
N 1.059407 0.517303 0.346934
N 2.902129 1.591003 -0.462745
N 1.815425 -1.877117 0.058541
C -0.293085 0.335645 0.919760
C 1.653307 1.747296 0.067579
C 2.000499 -0.462958 -0.038762
C -1.335331 0.068445 -0.177872
C 3.122834 0.226634 -0.527242
C 1.011513 3.072615 0.330842
C -3.776523 -0.064709 -0.277084
C -5.026553 -0.158449 0.566707
H -0.281234 -0.505248 1.627463
H -0.557809 1.257362 1.463327
H -1.345614 0.857884 -0.951452
H -1.172585 -0.910194 -0.660212
H 4.043061 -0.202009 -0.914268
H 1.681323 3.854056 -0.057854
H 0.030299 3.171922 -0.167888
H 0.860748 3.255301 1.411417
H -4.897532 0.358029 1.529862
H -5.243805 -1.222262 0.775069
H -5.880007 0.260710 0.012380


