%chk=000086308.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086308

0 1
 O    1.977700      -1.676500     -0.2455000    
 O   -4.180600      0.1061000      0.1715000    
 N    1.272600      0.5707000     -0.2770000    
 N   -2.088800     -0.8902000      4.5299999E-02
 C    3.621700     -2.1900000E-02 -0.4367000    
 C    4.602400     -0.4821000      0.5836000    
 C    4.145600      0.9471000      0.5640000    
 C    2.200800     -0.4753000     -0.3086000    
 C  -0.1133000      0.4872000     -0.1659000    
 C  -0.9013000       1.632600     -0.1498000    
 C  -0.7501000     -0.7394000     -6.6100001E-02
 C   -2.282400       1.518100     -3.6300000E-02
 C   -2.822100      0.2454000      5.7300001E-02
 C   -4.682200      -1.221800      0.2643000    
 H    3.982100      6.2799998E-02  -1.456300    
 H    5.613600     -0.6918000      0.2562000    
 H    4.260500      -1.106000       1.400300    
 H    3.509200       1.275200       1.376800    
 H    4.849200       1.696400      0.2216000    
 H    1.644800       1.515100     -0.3497000    
 H  -0.4521000       2.619400     -0.2245000    
 H  -0.2393000      -1.691900     -6.7199998E-02
 H   -2.911000       2.401700     -2.1900000E-02
 H   -4.443600      -1.795900     -0.6372000    
 H   -5.771500      -1.164800      0.3487000    
 H   -4.300700      -1.724300       1.159500    


%chk=000086308-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086308

0 1
O 2.028245 -1.146466 0.807607
O -4.324856 -0.015160 -0.186443
N 1.204135 0.793455 -0.229578
N -2.150740 -0.792636 0.360712
C 3.610921 0.538144 0.058370
C 4.748769 -0.472265 -0.225431
C 4.666849 0.197875 1.137206
C 2.231660 -0.022857 0.252489
C -0.197665 0.555874 -0.200783
C -1.057766 1.544095 -0.765452
C -0.797473 -0.604626 0.355278
C -2.445406 1.354432 -0.761479
C -2.945568 0.157504 -0.181137
C -4.832602 -1.262625 0.420159
H 3.689427 1.520654 -0.420644
H 5.529679 -0.162869 -0.925251
H 4.443508 -1.520358 -0.283569
H 4.306847 -0.411496 1.970310
H 5.391089 0.976268 1.392076
H 1.493206 1.674937 -0.660499
H -0.636364 2.456817 -1.205470
H -0.180300 -1.386990 0.798822
H -3.135338 2.088283 -1.184254
H -4.433106 -2.144167 -0.109706
H -5.924990 -1.193534 0.310678
H -4.540962 -1.326390 1.482388


