%chk=000096872.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096872

0 1
 O   -4.537900     -9.7800002E-02 -0.1597000    
 O    4.482400       1.017500      0.3080000    
 O    4.422500      -1.082000     -0.3301000    
 N   -1.737200      3.0800000E-02  3.7400000E-02
 N   0.3267000      -1.133200     -0.3260000    
 N    3.842000     -1.7100001E-02 -3.7000000E-03
 C   -2.446100      -1.220900      0.3370000    
 C   -2.463100      0.9681000     -0.8267000    
 C   -3.864600     -0.9107000      0.8014000    
 C   -3.881000       1.161200     -0.3005000    
 C  -0.3387000      1.0700000E-02  2.5100000E-02
 C   0.3507000       1.179500      0.3773000    
 C    1.741100       1.175200      0.3692000    
 C    2.425200      1.8100001E-02  1.3800000E-02
 C    1.678100      -1.099400     -0.3222000    
 H   -1.931600      -1.787700       1.121900    
 H   -2.477600      -1.836800     -0.5702000    
 H   -2.496400      0.5519000      -1.841000    
 H   -1.969500       1.944400     -0.8814000    
 H   -4.432300      -1.839800      0.9137000    
 H   -3.864700     -0.4017000       1.772900    
 H   -3.881500       1.683000      0.6642000    
 H   -4.460900       1.766100      -1.004700    
 H  -0.1784000       2.082400      0.6681000    
 H    2.260700       2.088300      0.6474000    
 H    2.135600      -2.041000     -0.6107000    


%chk=000096872-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096872

0 1
O -4.560627 -0.031557 0.286945
O 4.501408 1.032575 0.299231
O 4.324925 -1.201765 0.768528
N -1.753394 0.004894 -0.380696
N 0.231020 -1.128329 0.144241
N 3.810314 -0.057878 0.437573
C -2.494741 -1.278838 -0.307084
C -2.614423 1.160111 -0.706759
C -3.676587 -1.149560 0.670165
C -3.801927 1.224158 0.282493
C -0.382936 0.061989 -0.205838
C 0.382554 1.270247 -0.374956
C 1.762455 1.236116 -0.163699
C 2.372103 0.009883 0.207591
C 1.565823 -1.145768 0.342615
H -1.789521 -2.061597 0.011395
H -2.879696 -1.523837 -1.317772
H -3.005554 1.042957 -1.737823
H -2.050546 2.103818 -0.656341
H -4.311571 -2.049304 0.638665
H -3.302170 -0.994103 1.704351
H -3.424357 1.445824 1.304397
H -4.517575 2.004598 -0.023794
H -0.085843 2.208790 -0.678029
H 2.383815 2.127600 -0.283270
H 2.020552 -2.101927 0.618372


