%chk=000032081.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032081

0 1
 O    4.903300       2.079100     -0.8151000    
 O    4.237200      -2.397400      0.7503000    
 O    5.932200     -0.4090000     -0.1665000    
 O   2.3499999E-02   1.742000      0.6407000    
 O   -1.927500      0.4438000      -1.495700    
 N   -2.971500     -0.4352000      0.4169000    
 C   -4.344200     -0.1916000      0.1715000    
 C   -4.905700       1.010400      0.5756000    
 C   -5.104000      -1.159500     -0.4682000    
 C  -0.5705000     -0.5438000      0.2007000    
 C    1.865900      0.3360000      0.2332000    
 C   0.4420000      0.5971000      0.3739000    
 C   -1.898100     -0.1257000     -0.4080000    
 C    2.380700     -0.9181000      0.5610000    
 C    2.716700       1.340000     -0.2294000    
 C   -6.258500       1.250000      0.3348000    
 C   -6.456900     -0.9198000     -0.7091000    
 C    4.082400       1.089800     -0.3641000    
 C    3.746400      -1.168400      0.4266000    
 C    4.597300     -0.1645000     -3.5999998E-02
 C   -7.034000      0.2851000     -0.3076000    
 C   -4.101100       2.063500       1.266700    
 C   -4.514600      -2.459800     -0.9102000    
 C    5.481100       2.939000      0.1651000    
 C    3.300700      -3.367200       1.215500    
 C    6.377400     -0.9158000      -1.422500    
 H  -0.7119000      -1.004600       1.184200    
 H  -0.1606000      -1.303300     -0.4752000    
 H   -2.801600      -1.092900       1.174600    
 H    1.688700      -1.662500      0.9370000    
 H    2.325900       2.320200     -0.4925000    
 H   -6.724400       2.183200      0.6400000    
 H   -7.075900      -1.660100      -1.208900    
 H   -8.087400      0.4717000     -0.4955000    
 H   -3.612900       1.653600       2.157200    
 H   -3.340300       2.467200      0.5906000    
 H   -4.724700       2.900800       1.598600    
 H   -3.756400      -2.292800      -1.682300    
 H   -4.059800      -2.984400     -6.3199997E-02
 H   -5.272400      -3.128000      -1.333700    
 H    6.114000       3.667700     -0.3488000    
 H    4.699800       3.477200      0.7112000    
 H    6.101200       2.367100      0.8625000    
 H    3.862900      -4.284500       1.419800    
 H    2.839100      -3.062300       2.160800    
 H    2.559600      -3.615200      0.4478000    
 H    7.460100      -1.059500      -1.369400    
 H    5.907000      -1.880400      -1.637800    
 H    6.158400     -0.2041000      -2.224700    


%chk=000032081-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000032081

0 1
O 4.039741 2.130754 1.899405
O 4.280639 -1.476452 -1.381296
O 5.493968 0.689798 -0.047429
O -0.572084 0.172830 2.015446
O -2.283584 -2.270671 -1.093601
N -2.757785 -0.549137 0.443551
C -4.053758 -0.122437 -0.014424
C -4.266429 0.286169 -1.363173
C -5.100893 -0.070250 0.954412
C -0.673474 -1.848424 0.702383
C 1.479909 -0.350915 0.874285
C 0.061624 -0.620001 1.236005
C -1.984713 -1.561100 -0.088394
C 2.178643 -1.097321 -0.115133
C 2.147119 0.701647 1.550531
C -5.569530 0.707803 -1.731150
C -6.380390 0.372216 0.546808
C 3.479881 1.026813 1.240573
C 3.512705 -0.775471 -0.436621
C 4.176118 0.313345 0.215745
C -6.620831 0.749774 -0.792440
C -3.145587 0.315974 -2.381252
C -4.851501 -0.493374 2.391846
C 5.318028 1.922350 2.616704
C 3.656847 -2.623943 -2.050231
C 5.904404 0.909996 -1.455346
H -0.965322 -2.452243 1.585440
H -0.062171 -2.492263 0.057656
H -2.369300 -0.111953 1.296793
H 1.683927 -1.917856 -0.638248
H 1.615419 1.281722 2.309340
H -5.748433 1.020915 -2.766453
H -7.191851 0.409328 1.283025
H -7.618401 1.083668 -1.098793
H -2.229993 0.768661 -1.956030
H -2.876640 -0.708760 -2.695443
H -3.439909 0.899369 -3.270274
H -4.415256 -1.508353 2.443649
H -4.147807 0.186688 2.911477
H -5.792648 -0.494202 2.966760
H 5.563383 2.905214 3.046107
H 5.180382 1.181977 3.428198
H 6.108922 1.589649 1.925335
H 4.435202 -3.022000 -2.717175
H 3.361680 -3.398954 -1.317428
H 2.776561 -2.314917 -2.645688
H 6.930160 1.301554 -1.385394
H 5.877787 -0.033701 -2.020712
H 5.243842 1.660586 -1.926948


