%chk=000019532.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019532

0 1
 O    1.570200     -0.9512000      0.2162000    
 O   0.6613000      -1.934700       2.088600    
 O   -4.218000       1.220600     -0.5023000    
 N    3.999400      0.3408000     -0.5383000    
 C    4.978500      0.8130000      -1.516900    
 C    4.478900      0.8406000      0.7499000    
 C    5.246600       2.241800      -1.068000    
 C    4.921600       2.259100      0.4225000    
 C    3.852900      -1.107000     -0.5530000    
 C    2.838700      -1.521700      0.5136000    
 C    3.436600      -1.578400      -1.946700    
 C   0.5660000      -1.239400       1.089200    
 C  -0.7001000     -0.5885000      0.6676000    
 C  -0.9879000      0.6823000       1.129000    
 C   -1.558100      -1.270000     -0.1747000    
 C   -2.177500       1.293900      0.7335000    
 C   -2.747600     -0.6585000     -0.5703000    
 C   -3.057400      0.6235000     -0.1162000    
 C  -6.5300003E-02   1.425100       2.039900    
 C   -1.254700      -2.644600     -0.6763000    
 C   -5.327500      0.3666000     -0.7766000    
 C   -6.614200       1.120800     -0.4776000    
 C   -7.842400      0.2658000     -0.7332000    
 H    5.909900      0.2332000      -1.478600    
 H    4.597800      0.8047000      -2.543000    
 H    3.702200      0.8648000       1.520600    
 H    5.334300      0.2633000       1.123700    
 H    6.283500       2.535500      -1.260300    
 H    4.593900       2.946000      -1.597200    
 H    4.114300       2.975000      0.6170000    
 H    5.787200       2.557800       1.022400    
 H    4.807600      -1.593500     -0.3091000    
 H    3.155000      -1.247100       1.526000    
 H    2.738300      -2.614900      0.4972000    
 H    2.559100      -1.036400      -2.317400    
 H    4.243800      -1.464100      -2.677600    
 H    3.179800      -2.643700      -1.927400    
 H   -2.429500       2.292900       1.081000    
 H   -3.403000      -1.188800      -1.255500    
 H   0.9014000       1.592800       1.553400    
 H   8.8699996E-02  0.8671000       2.969400    
 H  -0.4659000       2.407200       2.314300    
 H   -1.142300      -3.342200      0.1602000    
 H  -0.3353000      -2.641100      -1.271100    
 H   -2.054300      -3.033500      -1.316100    
 H   -5.309800     -0.5318000     -0.1458000    
 H   -5.299800      7.2600000E-02  -1.832300    
 H   -6.658500       2.029400      -1.089900    
 H   -6.608300       1.460500      0.5651000    
 H   -7.838800     -0.6267000     -9.9399999E-02
 H   -8.752000      0.8337000     -0.5141000    
 H   -7.886200     -5.5199999E-02  -1.778800    


%chk=000019532-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019532

0 1
O 1.680682 -1.082596 -0.120698
O 0.826116 -2.661031 1.351325
O -4.336150 1.045530 -0.229989
N 4.139150 0.521054 -0.391762
C 5.142995 1.307300 -1.162583
C 4.500802 0.741683 1.035700
C 5.299414 2.619554 -0.353205
C 4.867618 2.245716 1.104024
C 4.023274 -0.900890 -0.802516
C 3.028240 -1.674135 0.077014
C 3.639895 -1.025706 -2.293205
C 0.638855 -1.650002 0.622978
C -0.657453 -0.943379 0.402597
C -0.731218 0.491150 0.340577
C -1.845025 -1.731532 0.278871
C -1.986283 1.096401 0.136068
C -3.086333 -1.090458 0.055984
C -3.158189 0.319881 -0.017581
C 0.473483 1.396867 0.543288
C -1.827327 -3.249763 0.357487
C -5.596973 0.296630 -0.396509
C -6.705460 1.328558 -0.618183
C -8.081497 0.652978 -0.806529
H 6.124869 0.766897 -1.220283
H 4.796933 1.488200 -2.193840
H 3.657683 0.488052 1.700779
H 5.378709 0.112041 1.338127
H 6.335381 2.998028 -0.401885
H 4.637592 3.403334 -0.759093
H 3.989058 2.840533 1.407122
H 5.667574 2.429291 1.842339
H 5.009718 -1.425769 -0.648720
H 3.281694 -1.633899 1.151021
H 3.001081 -2.738191 -0.222626
H 2.696994 -0.486905 -2.484878
H 4.425694 -0.617990 -2.951425
H 3.496770 -2.088146 -2.561871
H -2.077272 2.186316 0.098044
H -3.982656 -1.707374 -0.056403
H 1.239398 1.252260 -0.236717
H 0.975857 1.184676 1.506550
H 0.159302 2.454493 0.552130
H -1.559079 -3.589906 1.372451
H -1.072718 -3.689754 -0.319103
H -2.814682 -3.663923 0.090777
H -5.793651 -0.308925 0.512960
H -5.511424 -0.387250 -1.266891
H -6.452375 1.938033 -1.505563
H -6.730408 2.016283 0.247416
H -8.364654 0.059036 0.082802
H -8.869319 1.409366 -0.969138
H -8.081586 -0.025218 -1.680635


