%chk=000085381.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085381

0 1
 O    2.201900      0.3283000     -0.2726000    
 O    5.001000      0.3487000     -0.3745000    
 O   -4.024700      0.9502000      0.2114000    
 O   -3.869300      -1.231200      2.0099999E-02
 N   -3.341900     -9.4099998E-02  7.7500001E-02
 C   0.8474000      0.2249000     -0.1871000    
 C    2.969300     -0.7675000      0.2233000    
 C   6.8700001E-02   1.372800     -3.9000001E-02
 C   0.2378000      -1.028300     -0.2479000    
 C   -1.928900      1.4400000E-02 -1.2300000E-02
 C   -1.319400       1.267500      4.8400000E-02
 C   -1.150400      -1.133500     -0.1605000    
 C    4.308700     -0.2521000      0.7132000    
 H    2.475800      -1.261500       1.069400    
 H    3.117600      -1.483500     -0.5932000    
 H   0.5385000       2.351400      8.9999996E-03
 H   0.8050000      -1.943500     -0.3901000    
 H   -1.894100       2.183000      0.1636000    
 H   -1.591500      -2.125500     -0.2174000    
 H    4.923800      -1.059000       1.121900    
 H    4.173500      0.5171000       1.479500    
 H    5.141100     -0.3385000      -1.048100    


%chk=000085381-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085381

0 1
O 2.175809 0.385603 0.366504
O 4.995491 0.451034 -0.632257
O -4.110655 1.042556 -0.283995
O -3.968335 -1.234408 -0.372864
N -3.434583 -0.060364 -0.261444
C 0.807994 0.188480 0.207949
C 3.059495 -0.794442 0.377298
C 0.026733 1.376538 0.178199
C 0.185581 -1.084151 0.083383
C -1.972770 0.026094 -0.098979
C -1.363152 1.299507 0.025158
C -1.210762 -1.161438 -0.070988
C 4.499092 -0.297803 0.520496
H 2.798660 -1.443431 1.239379
H 2.922906 -1.371915 -0.561528
H 0.537914 2.338417 0.274289
H 0.770367 -2.007460 0.108314
H -1.986240 2.196917 -0.001951
H -1.720218 -2.123750 -0.169037
H 5.144680 -1.175389 0.745437
H 4.562434 0.410290 1.362287
H 4.969459 -0.120786 -1.441047


