%chk=000012058.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012058

0 1
 O   -2.294100      -1.161800      0.2079000    
 N  -0.3371000     -1.5699999E-02 -0.2965000    
 C    2.522000      3.4100000E-02  0.1327000    
 C    1.701300      -1.234200      0.3612000    
 C    1.663500       1.282800      0.3284000    
 C   0.4415000      -1.239200     -0.5003000    
 C   0.4029000       1.230500     -0.5321000    
 C   -1.684600     -0.1005000      5.2099999E-02
 C   -2.415400       1.204100      0.2465000    
 H    3.373100      5.5799998E-02  0.8223000    
 H    2.931200      2.6900001E-02 -0.8850000    
 H    2.309700      -2.117400      0.1380000    
 H    1.418700      -1.292900       1.419700    
 H    1.379000       1.360900       1.385100    
 H    2.246100       2.177200      8.1900001E-02
 H   0.7042000      -1.286000      -1.563800    
 H  -0.1579000      -2.126100     -0.2720000    
 H  -0.2073000       2.113300     -0.3341000    
 H   0.6672000       1.252100      -1.596200    
 H   -3.454400       1.001200      0.5243000    
 H   -2.417600       1.778700     -0.6834000    
 H   -1.953800       1.779500       1.053300    


%chk=000012058-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000012058

0 1
O -2.257194 -1.215997 0.225463
N -0.339284 -0.008637 -0.306870
C 2.552458 0.026202 0.132997
C 1.711719 -1.251468 0.371749
C 1.686939 1.292456 0.340596
C 0.443014 -1.250431 -0.509168
C 0.413399 1.240065 -0.539223
C -1.682640 -0.092637 0.053993
C -2.450541 1.218004 0.245649
H 3.430988 0.045797 0.804750
H 2.942474 0.017620 -0.906498
H 2.308502 -2.156268 0.148000
H 1.411105 -1.308597 1.435874
H 1.387407 1.366422 1.404498
H 2.263223 2.204621 0.092309
H 0.732432 -1.322055 -1.579624
H -0.223768 -2.095028 -0.272490
H -0.229233 2.110229 -0.336771
H 0.711942 1.287367 -1.609500
H -3.477903 0.953025 0.534388
H -2.486796 1.817513 -0.682362
H -2.010043 1.845095 1.042240


