%chk=000008615.chk
%nprocshared=24
%mem=100GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008615

0 1
 O   3.1700000E-02   1.004800     -0.6366000    
 O   -1.459700       2.475800      0.3177000    
 N   -3.270100       1.055700       1.843900    
 C    2.319200       1.469600      -1.270400    
 C    2.889700      0.3315000     -0.4596000    
 C    1.034900       2.025800     -0.6655000    
 C    3.792800      0.6063000      0.5553000    
 C    2.499900     -0.9678000     -0.7438000    
 C   -2.114700      0.2302000     -0.1434000    
 C   -3.120600      9.9900000E-02  0.8142000    
 C   -1.184700       1.352100     -0.1182000    
 C    4.320000     -0.4453000       1.304900    
 C    3.027100      -2.019400      5.9000002E-03
 C   -1.983900     -0.7249000      -1.151600    
 C    3.937000      -1.758100       1.030300    
 C   -3.995600     -0.9855000      0.7635000    
 C   -2.858700      -1.810200      -1.202100    
 C   -3.864400      -1.940500     -0.2447000    
 H    2.122900       1.114300      -2.290200    
 H    3.063800       2.269900      -1.361800    
 H   0.6770000       2.860900      -1.278500    
 H    1.214400       2.383500      0.3555000    
 H    4.095400       1.625500      0.7780000    
 H    1.791900      -1.182900      -1.539100    
 H    5.028100     -0.2420000       2.103000    
 H    2.728700      -3.041500     -0.2077000    
 H   -1.220500     -0.6466000      -1.921400    
 H    4.347200      -2.576800       1.614100    
 H   -4.784000      -1.099300       1.503200    
 H   -2.759000      -2.552300      -1.988800    
 H   -4.546000      -2.785100     -0.2847000    
 H   -2.643400       1.845300       1.913200    
 H   -4.005000      0.9423000       2.529800    


%chk=000008615-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000008615

0 1
O 0.038225 0.981027 -0.375716
O -1.438029 2.392418 0.734888
N -3.925748 1.488027 1.172552
C 2.280944 1.609059 -1.089550
C 2.995589 0.386449 -0.529566
C 1.063887 2.052992 -0.262551
C 4.015527 0.531224 0.445765
C 2.641862 -0.920664 -0.950489
C -2.161118 0.148871 0.091507
C -3.507652 0.308389 0.591063
C -1.205951 1.263027 0.195033
C 4.663023 -0.600235 0.991981
C 3.287312 -2.054915 -0.408965
C -1.772942 -1.092241 -0.491412
C 4.300151 -1.898797 0.565783
C -4.410571 -0.796030 0.467650
C -2.671345 -2.163410 -0.599667
C -3.999357 -2.002286 -0.115095
H 1.944876 1.422596 -2.126248
H 2.975846 2.470903 -1.122276
H 0.632964 2.996437 -0.644165
H 1.314625 2.188267 0.805432
H 4.308972 1.536187 0.776013
H 1.855433 -1.045740 -1.704342
H 5.450919 -0.469579 1.742621
H 3.002166 -3.058025 -0.746262
H -0.743596 -1.188540 -0.847744
H 4.802375 -2.777623 0.985617
H -5.435948 -0.684748 0.840860
H -2.356269 -3.110714 -1.047568
H -4.712996 -2.830791 -0.193726
H -3.244059 2.251617 1.256619
H -4.877715 1.582051 1.516361


