%chk=000046244.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046244

0 1
 O    2.070500      0.6807000       1.423400    
 O   0.6959000       2.154100     -5.7500001E-02
 O   -3.170600      -1.773200      8.6300001E-02
 N    3.701100      -1.221100       0.000000    
 C    1.475100     -0.4597000      0.7914000    
 C   7.8400001E-02 -0.1186000      0.3892000    
 C    2.339100     -0.8879000     -0.4107000    
 C  -0.2502000       1.174500     -1.8100001E-02
 C  -0.9031000      -1.109200      0.4244000    
 C   -2.213000     -0.8068000      5.2499998E-02
 C   -1.560200       1.476700     -0.3901000    
 C   -2.541600      0.4862000     -0.3548000    
 C    4.495200      -1.647100      -1.142400    
 C   0.2726000       3.446900     -0.4859000    
 C   -4.488900      -1.395400     -0.3077000    
 H    1.457100      -1.255700       1.546600    
 H    2.382200     -6.3699998E-02  -1.134500    
 H    1.871500      -1.746900     -0.9084000    
 H  -0.6546000      -2.120100      0.7386000    
 H    3.674300      -1.969700      0.6916000    
 H   -1.888000       2.457700     -0.7166000    
 H   -3.538800      0.7883000     -0.6565000    
 H    2.984000      0.4393000       1.653600    
 H    5.511600      -1.882600     -0.8119000    
 H    4.570200     -0.8531000      -1.892500    
 H    4.078200      -2.544500      -1.611000    
 H  -0.4652000       3.878100      0.1993000    
 H  -7.7799998E-02   3.434000      -1.523600    
 H    1.151700       4.099200     -0.4564000    
 H   -4.908600     -0.6391000      0.3643000    
 H   -5.119900      -2.286000     -0.2202000    
 H   -4.521400      -1.082600      -1.356900    


%chk=000046244-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046244

0 1
O 1.894318 -0.171310 1.735614
O 0.906133 1.716805 -0.458351
O -3.522865 -1.681012 0.363998
N 3.683988 -1.190265 0.013949
C 1.312889 -0.939953 0.631724
C -0.052832 -0.387220 0.253245
C 2.330337 -0.958381 -0.550262
C -0.249222 0.934941 -0.260430
C -1.185380 -1.202003 0.434693
C -2.492801 -0.749277 0.129410
C -1.551398 1.394342 -0.553320
C -2.679089 0.559581 -0.362355
C 4.812949 -0.751875 -0.833370
C 0.719027 3.123334 -0.808792
C -4.890236 -1.244103 0.088883
H 1.161909 -1.991809 0.971286
H 2.336824 0.035333 -1.027276
H 2.019066 -1.712107 -1.307301
H -1.070310 -2.212260 0.842053
H 3.802895 -2.159267 0.341363
H -1.710112 2.405538 -0.939401
H -3.674995 0.945808 -0.598762
H 2.885331 -0.226382 1.546470
H 5.766569 -0.951408 -0.313105
H 4.739001 0.337513 -0.999773
H 4.850588 -1.246605 -1.831262
H 0.109836 3.648475 -0.047552
H 0.246108 3.239502 -1.804959
H 1.732441 3.551402 -0.830366
H -5.172096 -0.375384 0.716784
H -5.526322 -2.105050 0.342830
H -5.025754 -0.984202 -0.980164


