%chk=000038677.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038677

0 1
 O   0.1183000      -1.331000      0.2527000    
 O    1.173400       1.972300     -0.1871000    
 N  -0.1170000      4.3499999E-02  5.5000000E-02
 C   -1.499700      0.4321000     -8.3700001E-02
 C    2.163600     -0.1989000      0.1729000    
 C    1.478300      -1.510800     -0.1479000    
 C    1.042500      0.7690000     -2.5200000E-02
 C   -2.235700      0.1410000       1.217300    
 C   -2.123700     -0.3172000      -1.253900    
 H   -1.530000       1.509200     -0.2836000    
 H    3.008800      2.0000001E-03 -0.4880000    
 H    2.478100     -0.1546000       1.220100    
 H    1.499900      -1.729900      -1.221600    
 H    1.919200      -2.350800      0.3959000    
 H   -3.277100      0.4740000       1.154500    
 H   -2.239500     -0.9285000       1.455300    
 H   -1.764700      0.6644000       2.056800    
 H   -1.564800     -0.1318000      -2.177900    
 H   -3.156500      1.0200000E-02  -1.413800    
 H   -2.139200      -1.400200      -1.088100    


%chk=000038677-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038677

0 1
O 0.132837 -1.443540 0.131626
O 1.049448 2.029558 -0.063117
N -0.107807 -0.016063 -0.179466
C -1.518999 0.397336 -0.168685
C 2.196673 -0.201201 0.249430
C 1.608832 -1.575594 -0.113262
C 1.022382 0.765530 -0.005822
C -2.163658 0.160475 1.218746
C -2.300443 -0.291421 -1.306923
H -1.457171 1.486719 -0.361032
H 3.064616 0.080604 -0.366793
H 2.486330 -0.123811 1.312938
H 1.768927 -1.816646 -1.181355
H 1.937563 -2.409638 0.525210
H -3.201545 0.538179 1.217209
H -2.183605 -0.916333 1.459541
H -1.602460 0.688450 2.009250
H -1.836408 -0.080904 -2.285907
H -3.341510 0.077135 -1.325321
H -2.319801 -1.384836 -1.156568


