%chk=000034571.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034571

0 1
 O    5.701800      0.1235000     -0.2076000    
 O   -5.876400     -9.6199997E-02  0.1727000    
 N   0.2029000     -3.5799999E-02  0.5336000    
 N  -0.3787000      9.2000002E-03 -0.5753000    
 C    2.312100      -1.193900      0.1941000    
 C    1.590100     -9.9999998E-03  0.3457000    
 C    3.693900      -1.149200      8.2000000E-03
 C    4.353600      7.9400003E-02 -2.6000001E-02
 C    2.249700       1.218500      0.3115000    
 C    3.631400       1.263200      0.1256000    
 C    1.627600      -2.521000      0.2275000    
 C   -1.771200     -1.7000001E-02 -0.3872000    
 C   -4.528100     -7.0100002E-02 -1.1100000E-02
 C   -2.470700       1.176300     -0.2380000    
 C   -2.439700      -1.236800     -0.3498000    
 C   -3.852500       1.149800     -4.9400002E-02
 C   -3.821500      -1.263500     -0.1613000    
 C    6.311800       1.413000     -0.2327000    
 C   -6.536100       1.160500      0.3191000    
 H    4.266100      -2.065800     -0.1122000    
 H    1.695600       2.146400      0.4297000    
 H    4.079900       2.250600      0.1093000    
 H    2.345600      -3.348000      0.2532000    
 H    1.002800      -2.612600       1.122300    
 H    1.004000      -2.650000     -0.6630000    
 H   -1.951300       2.130500     -0.2671000    
 H   -1.897000      -2.171100     -0.4662000    
 H   -4.338800       2.113100      6.0400002E-02
 H   -4.342100      -2.216800     -0.1323000    
 H    6.196500       1.931600      0.7252000    
 H    5.951100       2.012600      -1.075400    
 H    7.385200       1.259900     -0.3858000    
 H   -6.196600       1.691200       1.215100    
 H   -7.602300      0.9518000      0.4560000    
 H   -6.443600       1.771300     -0.5853000    


%chk=000034571-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000034571

0 1
O 5.880104 -0.052103 0.005694
O -6.083313 0.572013 -0.509141
N 0.240432 -0.062500 0.263772
N -0.436472 0.542154 -0.686176
C 2.422391 -0.663134 1.144747
C 1.657474 -0.010473 0.118896
C 3.826570 -0.642912 1.050998
C 4.481771 0.004296 -0.026979
C 2.325459 0.635991 -0.958327
C 3.726570 0.650683 -1.042245
C 1.739536 -1.359621 2.306027
C -1.853852 0.486678 -0.537227
C -4.686347 0.505519 -0.454171
C -2.546473 -0.154751 0.528167
C -2.604618 1.136817 -1.557785
C -3.951358 -0.148424 0.573884
C -4.006500 1.149040 -1.520953
C 6.617110 0.601556 -1.080472
C -6.844359 -0.077079 0.563011
H 4.443598 -1.128893 1.813380
H 1.711196 1.123277 -1.722050
H 4.217577 1.154693 -1.879825
H 2.482996 -1.797025 2.994102
H 1.103651 -0.655745 2.871423
H 1.071333 -2.163077 1.948778
H -1.959301 -0.651132 1.307080
H -2.056553 1.625069 -2.370124
H -4.466487 -0.647273 1.400485
H -4.597400 1.643543 -2.297336
H 6.408860 1.688380 -1.109591
H 6.373426 0.148802 -2.060826
H 7.678514 0.432932 -0.847399
H -6.645763 -1.165711 0.593993
H -7.900018 0.100550 0.311417
H -6.614654 0.372460 1.548273


