%chk=000079259.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079259

0 1
 O    2.594900      0.8114000      0.9807000    
 O   -2.588400      0.8075000      0.9867000    
 N    1.197000     -0.4415000     -0.3940000    
 N   -1.197300     -0.4420000     -0.3992000    
 C  -6.9999998E-04  0.3740000     -0.2534000    
 C  -6.0000001E-03   1.504800      -1.276700    
 C    2.392500     -0.1467000      0.2396000    
 C   -2.390500     -0.1472000      0.2398000    
 C    3.461500      -1.161600     -6.2500000E-02
 C   -3.463000      -1.158900     -6.1099999E-02
 H  -1.9000000E-03  0.8108000      0.7522000    
 H   0.8791000       2.140200      -1.165500    
 H  -0.8941000       2.135500      -1.163200    
 H  -6.0000001E-03   1.110800      -2.299500    
 H    1.142200      -1.254700     -0.9997000    
 H   -1.144000      -1.252300      -1.009100    
 H    4.418300     -0.8214000      0.3431000    
 H    3.197900      -2.119000      0.3953000    
 H    3.564000      -1.289800      -1.143900    
 H   -4.424200     -0.8008000      0.3178000    
 H   -3.216700      -2.107800      0.4232000    
 H   -3.546700      -1.311100      -1.141000    


%chk=000079259-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000079259

0 1
O 2.542882 1.119588 0.529732
O -1.616663 -0.789091 1.551089
N 1.053440 -0.386424 -0.413481
N -1.327495 -0.130849 -0.661661
C -0.071759 0.588064 -0.420381
C 0.137792 1.685831 -1.478676
C 2.283590 -0.059246 0.131424
C -2.048450 -0.745526 0.362976
C 3.296301 -1.197219 0.222080
C -3.383984 -1.358217 -0.052018
H -0.112417 1.040450 0.587992
H 1.097261 2.188614 -1.279776
H -0.671376 2.435666 -1.421613
H 0.168643 1.257287 -2.498285
H 0.830965 -1.355991 -0.644371
H -1.730602 -0.080462 -1.598899
H 4.240861 -0.879824 -0.251049
H 3.513184 -1.398106 1.285919
H 2.952414 -2.132792 -0.252217
H -4.192890 -0.873163 0.521231
H -3.390903 -2.427801 0.219120
H -3.602890 -1.260592 -1.129537


