%chk=000072211.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072211

0 1
 O    3.554200     -0.1508000      -1.092400    
 O    6.013600     -0.3906000      0.2803000    
 O   -4.267900       1.644500      0.1902000    
 N   7.7799998E-02  0.4370000     -0.1131000    
 N   -1.552600      -1.365800     -3.1500001E-02
 N   -1.368700       2.149000      6.2000002E-03
 N   -3.833400     -0.6314000      0.1289000    
 N   -3.263400      -2.917500      5.8100000E-02
 C    1.344100     -0.2693000     -0.2071000    
 C    2.327400      1.0000000E-03  0.9189000    
 C    3.626700     -0.4870000      0.3021000    
 C    2.174400      3.4299999E-02  -1.450700    
 C    4.862500      0.1395000      0.9182000    
 C   -1.167300     -8.7099999E-02 -3.9000001E-02
 C  -9.5399998E-02   1.802700     -8.1699997E-02
 C   -2.039900      0.9592000      3.3100002E-02
 C   -3.466600      0.7201000      0.1236000    
 C   -2.925600      -1.587700      5.5799998E-02
 H    1.120100      -1.343600     -0.2058000    
 H    2.383200       1.072700       1.144700    
 H    2.076000     -0.5243000       1.845400    
 H    3.690200      -1.581200      0.3555000    
 H    1.925500     -0.6342000      -2.281000    
 H    2.061200       1.065200      -1.800900    
 H    4.927400     -6.3000001E-02   1.991600    
 H    4.875700       1.222600      0.7610000    
 H   0.7365000       2.492600     -0.1271000    
 H  -0.9106000      -2.149500     -8.4500000E-02
 H    6.026100      -1.349000      0.4444000    
 H   -2.557100      -3.643100      2.0000001E-03
 H   -4.231900      -3.212600      0.1174000    


%chk=000072211-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000072211

0 1
O 3.533137 -0.871642 -1.034756
O 6.094284 0.266526 0.112938
O -4.276153 1.806878 0.214489
N 0.158507 0.297399 -0.041846
N -1.661098 -1.430706 -0.082089
N -1.178233 2.154491 0.115041
N -3.899686 -0.509701 0.054838
N -3.583030 -2.822730 -0.101779
C 1.373642 -0.524315 -0.133632
C 2.372480 -0.339944 1.049593
C 3.768308 -0.640374 0.423352
C 2.264664 -0.218314 -1.367999
C 4.767028 0.506085 0.669177
C -1.162810 -0.135986 -0.021538
C 0.082224 1.713999 0.043658
C -1.984109 0.999842 0.076298
C -3.453953 0.859056 0.123607
C -3.075996 -1.536133 -0.039393
H 1.072882 -1.587553 -0.188229
H 2.318555 0.701378 1.417071
H 2.136220 -1.004117 1.896092
H 4.196557 -1.592783 0.791331
H 1.901451 -0.660771 -2.307787
H 2.382647 0.877865 -1.500094
H 4.817304 0.693002 1.766666
H 4.418184 1.429468 0.174616
H 0.968949 2.342912 0.046882
H -1.057062 -2.250208 -0.159903
H 6.435181 -0.609646 0.425845
H -3.011204 -3.658426 -0.185878
H -4.596672 -2.902847 -0.073971


