%chk=000003894.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003894

0 1
 O    2.048200       2.020100      -1.173600    
 O   -2.512800      -1.482300       1.838300    
 O   -2.304500       3.943700       1.483100    
 O    5.759300      -1.589200      0.7222000    
 O   -2.186000       2.761700      -2.430700    
 O   -3.638000       3.623700     -0.9091000    
 N   0.3459000     -0.7310000      4.4900000E-02
 C    1.295300     -0.7326000      -1.050500    
 C   8.6999997E-02  -1.966800      0.7566000    
 C  -0.3273000      0.4550000      0.4046000    
 C    2.646000     -0.2350000     -0.6239000    
 C   -1.148900      -2.655900      0.2546000    
 C   -1.132000       1.110000     -0.5277000    
 C  -0.1901000      0.9718000       1.692700    
 C    2.956200       1.118100     -0.7065000    
 C    3.580500      -1.147600     -0.1463000    
 C   -2.388900      -2.379600      0.8205000    
 C   -1.799500       2.282000     -0.1718000    
 C   -1.033600      -3.573900     -0.7838000    
 C  -0.8576000       2.143600       2.048900    
 C   -1.662300       2.798900       1.116600    
 C    4.840300     -0.7017000      0.2534000    
 C    4.216100       1.563900     -0.3065000    
 C   -3.527000      -3.028800      0.3421000    
 C   -2.171800      -4.223100      -1.262000    
 C    5.158100      0.6540000      0.1732000    
 C   -3.418400      -3.950600     -0.6991000    
 C   -2.633700       2.951700      -1.160100    
 H   0.9273000     -0.1509000      -1.905400    
 H    1.404900      -1.746000      -1.459800    
 H   1.8300001E-02  -1.801600       1.839500    
 H   0.9403000      -2.651100      0.6561000    
 H   -1.251300      0.6828000      -1.520700    
 H   0.4411000      0.4806000       2.428500    
 H    3.341200      -2.205900     -8.1600003E-02
 H  -6.8999998E-02  -3.797500      -1.231000    
 H  -0.7394000       2.536200       3.055300    
 H    4.477100       2.617300     -0.3635000    
 H   -4.504700      -2.826100      0.7712000    
 H   -2.087300      -4.941000      -2.072500    
 H    6.135900       1.014000      0.4816000    
 H   -4.304600      -4.456200      -1.071700    
 H    2.442600       2.908900      -1.150700    
 H   -3.448900      -1.419600       2.094400    
 H   -2.089600       4.145900       2.409800    
 H    6.572900      -1.108400      0.9525000    
 H   -2.753400       3.216100      -3.089500    


%chk=000003894-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003894

0 1
O 2.358983 1.921384 0.015525
O -2.733003 -1.423491 0.925311
O -3.065202 4.577866 1.521170
O 4.855278 -2.960775 -1.272077
O -2.288342 3.287365 -2.519150
O -3.312664 4.905652 -1.218218
N 0.014092 -0.061739 0.309326
C 0.752308 -0.184638 -0.963786
C 0.066305 -1.232360 1.210790
C -0.758705 1.081102 0.609660
C 2.258261 -0.354787 -0.764245
C -0.597090 -2.480744 0.626068
C -1.322280 1.891414 -0.409138
C -1.000854 1.484218 1.957577
C 3.043291 0.722236 -0.263643
C 2.909045 -1.560826 -1.094275
C -2.009825 -2.543008 0.477503
C -2.079478 3.062765 -0.133796
C 0.156958 -3.608937 0.229939
C -1.767136 2.623320 2.251076
C -2.311208 3.432257 1.224260
C 4.304007 -1.710731 -0.918275
C 4.436382 0.578705 -0.086840
C -2.642375 -3.683952 -0.067811
C -0.458240 -4.760975 -0.314872
C 5.073805 -0.641742 -0.409902
C -1.861878 -4.792046 -0.468647
C -2.628049 3.856747 -1.259898
H 0.584967 0.733922 -1.547471
H 0.371557 -1.039396 -1.559278
H -0.447779 -0.970851 2.148588
H 1.118813 -1.475703 1.458795
H -1.211385 1.622603 -1.460958
H -0.568312 0.921048 2.789911
H 2.337595 -2.398628 -1.507015
H 1.245825 -3.583674 0.359673
H -1.929323 2.903604 3.300933
H 5.035061 1.415558 0.295285
H -3.735215 -3.712807 -0.172002
H 0.150528 -5.620135 -0.614593
H 6.156969 -0.745594 -0.268479
H -2.353494 -5.674686 -0.892176
H 2.982823 2.625269 0.320750
H -3.700447 -1.524448 0.746550
H -3.126502 4.689606 2.504035
H 5.834538 -2.963885 -1.134083
H -2.684706 3.871518 -3.219499


