%chk=000056352.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056352

0 1
 O    1.663800      8.1000000E-02  5.4200001E-02
 O    3.192700      -1.475600      0.7711000    
 N    3.849300      0.5540000     -0.1407000    
 C  -0.7302000     -0.1237000      0.1260000    
 C   -1.913000      -1.002100      0.5299000    
 C   0.5991000     -0.7952000      0.4411000    
 C   -3.230300     -0.3596000      0.1785000    
 C    5.279400      0.3723000     -4.6100002E-02
 C    5.971300       1.717200      0.1580000    
 C    5.787800     -0.3197000      -1.306900    
 C   -3.854200      0.4661000       1.102200    
 C   -3.798500     -0.6040000      -1.063100    
 C    2.929100     -0.3849000      0.2758000    
 C   -5.073400       1.060500      0.7769000    
 C   -5.017600     -9.3000000E-03  -1.388500    
 C   -5.655100      0.8230000     -0.4684000    
 H  -0.7785000      0.8462000      0.6380000    
 H  -0.7704000      0.1099000     -0.9459000    
 H   -1.841600      -1.981000      3.8300000E-02
 H   -1.879400      -1.207800       1.607600    
 H   0.6727000     -0.9991000       1.515700    
 H   0.6867000      -1.736700     -0.1135000    
 H    5.490100     -0.2703000      0.8168000    
 H    3.495700       1.400100     -0.5777000    
 H    7.054200       1.588400      0.2551000    
 H    5.781500       2.395200     -0.6816000    
 H    5.604400       2.206900       1.066700    
 H    5.308000      -1.295600      -1.439600    
 H    6.869500     -0.4809000      -1.254100    
 H    5.574500      0.2761000      -2.201600    
 H   -3.408300      0.6589000       2.073900    
 H   -3.309100      -1.249100      -1.787300    
 H   -5.569600       1.709100       1.493000    
 H   -5.470300     -0.1938000      -2.358400    
 H   -6.604200       1.286200     -0.7217000    


%chk=000056352-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056352

0 1
O 1.664287 0.089055 -0.021018
O 3.264519 -1.437096 0.815217
N 3.873535 0.623085 -0.140494
C -0.739923 -0.177780 0.073774
C -1.942152 -1.086669 0.455955
C 0.594611 -0.858663 0.382273
C -3.278460 -0.417400 0.166728
C 5.336773 0.439037 -0.014726
C 6.013583 1.821583 0.069851
C 5.897425 -0.416362 -1.175850
C -3.897930 0.414238 1.135335
C -3.913833 -0.575506 -1.092018
C 2.980964 -0.339763 0.264660
C -5.116606 1.072630 0.855172
C -5.132666 0.080549 -1.377846
C -5.738426 0.908598 -0.404512
H -0.802883 0.776986 0.628510
H -0.788452 0.071611 -1.002722
H -1.865709 -2.038845 -0.105103
H -1.871011 -1.341406 1.531873
H 0.704326 -1.089256 1.458788
H 0.718959 -1.802135 -0.182925
H 5.501607 -0.111614 0.930163
H 3.503093 1.454729 -0.602831
H 7.103530 1.704046 0.198544
H 5.848750 2.401722 -0.859199
H 5.623950 2.405952 0.922227
H 5.386085 -1.393692 -1.210486
H 6.979131 -0.597084 -1.035821
H 5.753388 0.094465 -2.146174
H -3.423632 0.541850 2.116876
H -3.452460 -1.220967 -1.850273
H -5.582312 1.707868 1.617397
H -5.611008 -0.056752 -2.354489
H -6.684955 1.415685 -0.623156


