%chk=000111304.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111304

0 1
 O    3.796700     -0.2057000     -0.2395000    
 O    2.657800       2.252000      0.3377000    
 O    2.221700      -2.483900     -0.2258000    
 O   -4.849200     -0.6851000     -1.6100001E-02
 N   -2.247700      0.4829000      -2.477000    
 C  -0.2530000      6.2300000E-02  0.6425000    
 C    2.467200     -0.1178000      5.0099999E-02
 C    1.897300       1.121700      0.3407000    
 C    1.677100      -1.267300      5.6000002E-02
 C   0.5371000       1.211700      0.6369000    
 C   0.3170000      -1.177200      0.3521000    
 C   -1.671100      0.1561000      0.9515000    
 C   -2.689000      0.3349000      7.1800001E-02
 C   -4.118200      0.3987000      0.5440000    
 C    4.170300     -7.6800004E-02  -1.609300    
 C    1.997500       3.478100      0.6453000    
 C    2.737600      -3.233000      0.8727000    
 C   -2.441700      0.4165000      -1.334700    
 C   -6.207300     -0.6681000      0.4011000    
 H   4.0800001E-02   2.148400      0.8707000    
 H  -0.2920000      -2.078700      0.3541000    
 H   -1.896600      7.8699999E-02   2.013500    
 H   -4.176900      0.3474000       1.638100    
 H   -4.564100       1.349500      0.2259000    
 H    3.876100      0.9031000      -1.998600    
 H    3.715000     -0.8711000      -2.209300    
 H    5.257700     -0.1676000      -1.677700    
 H    1.602200       3.479100       1.666800    
 H    1.232700       3.723200     -9.9600002E-02
 H    2.751900       4.270500      0.5968000    
 H    1.941200      -3.463000       1.587600    
 H    3.542400      -2.682900       1.370600    
 H    3.143000      -4.172200      0.4866000    
 H   -6.697200      0.2549000      7.6099999E-02
 H   -6.276300     -0.7694000       1.488500    
 H   -6.719800      -1.516100     -6.0899999E-02


%chk=000111304-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000111304

0 1
O 3.818792 -0.519545 -0.190782
O 2.430433 1.924378 -0.367555
O 2.385332 -2.890151 0.464149
O -5.020000 0.163758 -0.304977
N -2.441648 3.002320 0.152343
C -0.392863 -0.420824 0.475845
C 2.436472 -0.445706 0.015548
C 1.686193 0.773204 -0.068784
C 1.751915 -1.638377 0.390215
C 0.295346 0.781920 0.143662
C 0.359776 -1.618280 0.610532
C -1.836830 -0.508937 0.705905
C -2.828077 0.450712 0.679687
C -4.273282 0.084740 0.960362
C 4.360918 0.035875 -1.453668
C 1.705455 3.203221 -0.425956
C 3.561724 -3.006019 1.354671
C -2.599244 1.836123 0.382882
C -6.466821 0.082449 -0.093879
H -0.256652 1.717900 0.058401
H -0.126376 -2.564104 0.871146
H -2.187757 -1.524860 0.940247
H -4.328595 -0.943462 1.379749
H -4.717965 0.789710 1.698079
H 4.200055 1.124123 -1.498994
H 3.885216 -0.461679 -2.319135
H 5.434795 -0.202453 -1.425014
H 1.221897 3.429903 0.542337
H 0.943538 3.198038 -1.227601
H 2.477073 3.955322 -0.645188
H 3.266420 -2.804432 2.402695
H 4.359921 -2.312831 1.044606
H 3.890510 -4.051443 1.253691
H -6.829618 0.909742 0.552611
H -6.761918 -0.886642 0.362842
H -6.923935 0.170106 -1.091472


