%chk=000094999.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094999

0 1
 O    2.462200       1.149800      0.5897000    
 O   -1.849500      -2.282000      0.3675000    
 N   -2.295400     -3.5799999E-02  0.1865000    
 N    1.647900      -2.837100     -0.1709000    
 C   0.3856000      0.4226000     -0.3296000    
 C   -1.880000       1.256700     -3.4100000E-02
 C  -0.5865000       1.503500     -0.2861000    
 C    1.795200      0.8622000     -0.6230000    
 C  -4.9000001E-03 -0.8510000     -0.1158000    
 C   -1.454800      -1.134300      0.1678000    
 C   -2.929900       2.319400      2.5599999E-02
 C   0.9060000      -1.945600     -0.1463000    
 C    3.804200       1.571600      0.3686000    
 H  -0.2425000       2.518800     -0.4578000    
 H    1.801400       1.745000      -1.275700    
 H    2.340400      7.7500001E-02  -1.161800    
 H   -3.282200     -0.1885000      0.3747000    
 H   -3.403000       2.335200       1.013200    
 H   -3.704200       2.135300     -0.7265000    
 H   -2.514500       3.315400     -0.1608000    
 H    4.376500      0.7824000     -0.1283000    
 H    4.263100       1.778300       1.339100    
 H    3.823700       2.487400     -0.2300000    


%chk=000094999-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094999

0 1
O 2.242054 1.881973 0.031132
O -2.197570 -2.306073 -0.489239
N -2.338369 -0.011945 -0.077054
N 1.454422 -3.029587 -0.786640
C 0.414028 0.296405 -0.150359
C -1.816988 1.252534 0.122211
C -0.434074 1.419486 0.087589
C 1.920352 0.477758 -0.190121
C -0.138326 -0.984296 -0.350303
C -1.589441 -1.208869 -0.321977
C -2.798861 2.372240 0.366516
C 0.708929 -2.113544 -0.589778
C 3.685051 2.123592 0.012745
H 0.015818 2.399964 0.238915
H 2.312649 0.134967 -1.174359
H 2.395500 -0.161525 0.588254
H -3.353758 -0.159115 -0.056867
H -3.399844 2.187172 1.277040
H -3.501035 2.482977 -0.481422
H -2.268404 3.327402 0.496738
H 4.200547 1.554686 0.814535
H 3.817411 3.202512 0.185185
H 4.128709 1.848086 -0.966740


