%chk=000021109.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021109

0 1
 O  -0.2441000      -1.452100      0.7055000    
 O    2.338900      -1.931700     -0.1296000    
 O    4.062400      0.1898000     -0.5689000    
 N   -2.206200      0.3894000      0.4010000    
 N   -4.486900      8.3400004E-02  -1.361300    
 C   -3.569100      0.6836000      0.8621000    
 C   -2.088100      0.6235000      -1.044000    
 C   -4.595200     -0.1417000      8.1900001E-02
 C   -3.123100     -0.2014000      -1.813100    
 C   -1.225500       1.183900       1.137900    
 C   0.1815000      0.9005000      0.6833000    
 C   0.6047000     -0.4072000      0.4867000    
 C    1.041700       1.968800      0.4651000    
 C    1.911500     -0.6513000      6.4300001E-02
 C    2.348300       1.724900      4.2700000E-02
 C    2.783200      0.4148000     -0.1578000    
 C  -0.2632000      -2.005300       2.019200    
 C    1.641000      -2.706200      -1.101900    
 C    4.888400       1.334500     -0.7730000    
 H   -3.798000       1.752400      0.7534000    
 H   -3.662000      0.4353000       1.926300    
 H   -1.109800      0.3363000      -1.441800    
 H   -2.228400       1.688500      -1.275800    
 H   -4.471100      -1.209400      0.3040000    
 H   -5.603400      0.1372000      0.4074000    
 H   -3.050900      3.5399999E-02  -2.880400    
 H   -2.909200      -1.272700      -1.707400    
 H   -1.284300      0.9614000       2.210700    
 H   -1.448300       2.254000       1.026800    
 H   -5.142200     -0.5246000      -1.851200    
 H   0.7159000       2.993900      0.6187000    
 H    2.969200       2.601000     -0.1092000    
 H   -1.052900      -2.760600       2.059700    
 H  -0.4754000      -1.238900       2.770500    
 H   0.6930000      -2.489100       2.241600    
 H    1.166800      -2.082600      -1.868000    
 H   0.8957000      -3.339000     -0.6122000    
 H    2.366400      -3.359500      -1.595800    
 H    5.048100       1.888100      0.1585000    
 H    4.503700       1.971700      -1.576500    
 H    5.868700      0.9705000      -1.098100    


%chk=000021109-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021109

0 1
O -0.221676 -1.567051 1.471811
O 2.442897 -2.086234 0.598486
O 3.932677 -0.075445 -0.587090
N -2.479547 0.523632 0.156067
N -4.835648 0.702746 -1.470459
C -3.831803 0.382795 0.751191
C -2.508569 1.385393 -1.049300
C -4.813555 -0.187812 -0.287619
C -3.494579 0.820059 -2.087122
C -1.474028 0.962618 1.163084
C -0.043073 0.723653 0.715061
C 0.561581 -0.557548 0.883503
C 0.720575 1.747825 0.116533
C 1.880971 -0.804454 0.414410
C 2.044914 1.535797 -0.326934
C 2.627783 0.257064 -0.179502
C 0.358782 -2.281826 2.631700
C 2.749909 -2.825214 -0.645737
C 4.753829 1.001062 -1.145319
H -4.230280 1.365273 1.114274
H -3.763620 -0.306191 1.613832
H -1.494325 1.419925 -1.485913
H -2.816822 2.433511 -0.794693
H -4.486857 -1.227218 -0.536298
H -5.828220 -0.234313 0.149692
H -3.552828 1.507149 -2.951738
H -3.095833 -0.162003 -2.442110
H -1.665755 0.376314 2.079381
H -1.601551 2.047437 1.416133
H -5.560668 0.438045 -2.149712
H 0.271912 2.742174 0.006151
H 2.606043 2.361298 -0.773406
H -0.410789 -3.011960 2.926411
H 0.543202 -1.573074 3.462792
H 1.296451 -2.787950 2.352363
H 3.523505 -2.295625 -1.227497
H 1.832253 -2.955634 -1.250130
H 3.125693 -3.805613 -0.314326
H 4.891643 1.819798 -0.412932
H 4.312250 1.406692 -2.076559
H 5.724958 0.534403 -1.367180


