%chk=000005255.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005255

0 1
 O  -0.6943000     -0.8837000      -1.924300    
 O    2.998200      -3.116400      0.6940000    
 O    1.486400      -2.187800       2.109100    
 O   -1.764200       3.802600      0.9311000    
 O    4.693100       2.329500      0.4879000    
 O   -3.408900       2.253200       1.176100    
 O    4.647800       1.354600      -1.560300    
 O   -3.498900      -1.909500      0.7223000    
 N   0.3421000     -0.7489000      0.1479000    
 N   -3.055000     -0.1407000     -0.7255000    
 C    1.546300      -1.459400     -0.2141000    
 C    2.633800     -0.5349000     -0.7745000    
 C   -1.818000      0.2979000     -0.1320000    
 C  -0.6902000     -0.5182000     -0.7507000    
 C   -1.583400       1.791900     -0.3388000    
 C    3.159700      0.5380000      0.1876000    
 C    1.987200      -2.259600      0.9943000    
 C   -2.355600       2.611600      0.6655000    
 C    4.221600       1.431500     -0.4164000    
 C   -3.793000      -1.212100     -0.2451000    
 C   -5.054600      -1.439600      -1.033900    
 H    1.273200      -2.187600     -0.9886000    
 H    2.247200     -3.6800001E-02  -1.673600    
 H    3.483000      -1.144500      -1.110200    
 H   -1.863100      6.5200001E-02  0.9401000    
 H   0.2737000     -0.3721000       1.089200    
 H  -0.5186000       2.017500     -0.2005000    
 H   -1.868400       2.117000      -1.345600    
 H    3.595600      5.6499999E-02   1.069900    
 H    2.333200       1.181100      0.5098000    
 H   -3.368700      0.3244000      -1.573000    
 H   -4.820700      -1.529700      -2.098500    
 H   -5.537200      -2.362400     -0.7006000    
 H   -5.739100     -0.6008000     -0.8802000    
 H    3.272000      -3.645700       1.473200    
 H   -2.278200       4.330300       1.578800    
 H    5.394400       2.899000      0.1056000    


%chk=000005255-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005255

0 1
O -0.490900 0.317179 -2.899451
O 2.429482 -2.516534 -2.194964
O 0.439494 -2.522350 -0.995003
O -4.991358 2.589156 -2.009441
O 3.714978 -1.232088 3.249748
O -3.520076 3.476189 -0.446922
O 4.856819 0.186969 1.810527
O -0.692820 0.520353 1.658605
N 0.556218 0.320506 -0.811802
N -2.333489 0.254891 0.039522
C 1.740632 -0.402945 -1.264625
C 2.929780 -0.208082 -0.286395
C -1.724459 1.201440 -0.927024
C -0.500319 0.566212 -1.654654
C -2.774935 1.655642 -1.949948
C 2.678508 -0.778992 1.126356
C 1.420909 -1.898965 -1.447886
C -3.749377 2.658152 -1.363593
C 3.861563 -0.534249 2.041689
C -1.800708 -0.002143 1.283782
C -2.579930 -0.949841 2.178376
H 2.033655 -0.025314 -2.261263
H 3.147598 0.872416 -0.218767
H 3.821050 -0.687335 -0.726191
H -1.373259 2.072201 -0.340144
H 0.397550 0.497925 0.199192
H -2.252265 2.130136 -2.801928
H -3.321457 0.804526 -2.390750
H 2.480429 -1.866959 1.102316
H 1.789288 -0.328724 1.612472
H -3.157151 -0.268370 -0.264932
H -3.577010 -1.206403 1.782464
H -1.999152 -1.879231 2.313418
H -2.696455 -0.486480 3.172149
H 2.215701 -3.481444 -2.313310
H -5.592337 3.295221 -1.644837
H 4.492204 -1.031263 3.839213


