%chk=000080994.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080994

0 1
 O   0.5555000     -0.2013000     -8.9699998E-02
 O    1.772700       1.751900     -4.5899998E-02
 N   -3.088200      0.3093000     -0.3027000    
 C   -4.224600     -0.6116000     -0.3145000    
 C   -3.855700      0.1400000      0.9311000    
 C   -1.838900     -0.4007000     -0.2430000    
 C  -0.6585000      0.5515000     -0.1832000    
 C    1.700800      0.5312000     -2.8100001E-02
 C    2.873200     -0.3828000      6.4499997E-02
 C    2.675200      -1.867700      7.8900002E-02
 C    4.088500      0.1802000      0.1326000    
 H   -4.027000      -1.674900     -0.3531000    
 H   -5.089800     -0.2765000     -0.8709000    
 H   -4.472500      0.9837000       1.212900    
 H   -3.422600     -0.4073000       1.757900    
 H   -1.722900      -1.013500      -1.148100    
 H   -1.754200      -1.118100      0.5863000    
 H  -0.7410000       1.199600      0.6982000    
 H  -0.6270000       1.175600      -1.084800    
 H    2.063400      -2.165800      0.9366000    
 H    2.178600      -2.198500     -0.8393000    
 H    3.626200      -2.406400      0.1505000    
 H    4.982200     -0.4323000      0.2016000    
 H    4.237800       1.254700      0.1225000    


%chk=000080994-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080994

0 1
O 0.558067 -0.284422 -0.119837
O 1.686568 1.732756 0.174483
N -3.124921 0.158509 -0.466256
C -4.352631 -0.655291 -0.149583
C -3.852799 0.388997 0.838123
C -1.826598 -0.561123 -0.362736
C -0.718574 0.478804 -0.180593
C 1.717690 0.482696 0.059214
C 2.941018 -0.387433 0.092530
C 2.779723 -1.884922 -0.066630
C 4.140294 0.233918 0.265555
H -4.219367 -1.710434 0.128427
H -5.226425 -0.448573 -0.774738
H -4.361648 1.353352 0.927304
H -3.386465 0.020024 1.763006
H -1.663946 -1.113475 -1.305829
H -1.790949 -1.296102 0.477324
H -0.837803 1.059873 0.751955
H -0.683872 1.184647 -1.028065
H 2.129644 -2.299859 0.724432
H 2.296501 -2.130726 -1.029205
H 3.759251 -2.390534 -0.022193
H 5.076749 -0.333213 0.300020
H 4.191692 1.322831 0.373591


