%chk=000017513.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017513

0 1
 O    1.802400     -0.5750000     -0.9395000    
 O    1.248600       2.348500       1.077100    
 O    3.451300       1.945200     -0.4627000    
 O    3.361100      -2.804100     -0.2581000    
 O   -4.505000      0.9424000     -0.2710000    
 N  -0.3906000     -6.6299997E-02 -0.1896000    
 N   -1.965200      -1.538700      0.3582000    
 N   -1.650300       1.880100     -0.7099000    
 N   -4.761300      -1.212100      0.4274000    
 C    1.633300       1.016100      0.8065000    
 C   0.9467000      0.4685000     -0.4354000    
 C    3.094900      0.8858000      0.4253000    
 C    3.113600     -0.4300000     -0.3463000    
 C    3.373500      -1.636700      0.5446000    
 C   -1.584200      0.5909000     -0.3182000    
 C  -0.6729000      -1.342400      0.2189000    
 C   -2.539100     -0.3375000      2.4499999E-02
 C   -3.956900     -0.1348000      4.8000000E-02
 H    1.413100      0.4016000       1.687100    
 H   0.8606000       1.218100      -1.229900    
 H    3.772800      0.9248000       1.282700    
 H    3.831600     -0.4170000      -1.174100    
 H    2.604300      -1.754200       1.314100    
 H    4.350300      -1.563700       1.031500    
 H    1.493400       2.893900      0.3102000    
 H    4.377700       1.805500     -0.7235000    
 H   9.3599997E-02  -2.082300      0.4045000    
 H    2.490000      -2.855300     -0.6876000    
 H  -0.8323000       2.447200     -0.9062000    
 H   -2.539600       2.360300     -0.8077000    
 H   -4.369600      -2.111800      0.6872000    
 H   -5.771700      -1.124500      0.4536000    


%chk=000017513-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017513

0 1
O 1.961320 -0.717462 -1.039685
O 1.249245 2.674874 0.139059
O 3.578744 1.913734 -0.732506
O 3.059847 -2.864638 0.525033
O -4.198834 1.002027 0.772720
N -0.319945 -0.217754 -0.531425
N -2.018298 -1.734791 -0.467584
N -1.515101 1.814609 0.235177
N -4.727596 -1.249083 0.376330
C 1.549536 1.265479 0.315567
C 0.992291 0.368621 -0.841111
C 3.072592 0.975094 0.282583
C 3.150467 -0.496176 -0.153923
C 3.089523 -1.493325 1.019967
C -1.451325 0.483655 -0.081380
C -0.730899 -1.558883 -0.771986
C -2.489184 -0.476215 -0.033501
C -3.851897 -0.181209 0.398874
H 1.108194 0.962284 1.278651
H 0.935413 0.957361 -1.778427
H 3.557375 1.157503 1.261169
H 4.034697 -0.717276 -0.778119
H 2.209980 -1.279270 1.664931
H 4.007162 -1.424574 1.630215
H 1.964719 3.048590 -0.447844
H 4.564022 1.888000 -0.787683
H -0.047345 -2.301991 -1.168632
H 2.285573 -2.947167 -0.090465
H -0.715395 2.450668 0.165914
H -2.447653 2.111441 0.551502
H -4.389176 -2.160297 0.065814
H -5.693952 -1.111327 0.662466


