%chk=000064979.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064979

0 1
 I   -3.637200       2.732400     -0.4622000    
 O   0.9204000      0.5105000       1.024300    
 O    1.386900       3.243300      0.6856000    
 O   -1.336500      -2.892100      0.4192000    
 O   -4.995400     -0.2053000     -0.2803000    
 N  -0.9701000     -0.5965000      0.2034000    
 N    3.404600      -1.040600      3.5000001E-03
 N   -3.149300      -1.531700      7.0500001E-02
 N    4.618000     -0.8154000     -0.1383000    
 N    5.734600     -0.6178000     -0.2619000    
 C    2.500800     -8.6599998E-02 -0.6518000    
 C    1.189300     -0.7719000     -0.9558000    
 C   0.4516000     -0.6742000      0.3674000    
 C    2.100500      0.9881000      0.3512000    
 C    1.755500       2.313300     -0.3172000    
 C   -1.779100      -1.754800      0.2445000    
 C   -1.551100      0.6521000     -1.9999999E-04
 C   -2.863100      0.8594000     -0.1667000    
 C   -3.780600     -0.3123000     -0.1352000    
 H    2.965400      0.3184000      -1.559000    
 H   0.6625000     -0.2171000      -1.742400    
 H    1.290800      -1.807000      -1.297700    
 H   0.7049000      -1.527500       1.007900    
 H    2.863800       1.158700       1.119200    
 H   0.9319000       2.229600      -1.031300    
 H    2.624600       2.715000     -0.8473000    
 H  -0.8820000       1.499800     -3.1599998E-02
 H   -3.747100      -2.353000      9.7099997E-02
 H   0.6345000       2.868700       1.174300    


%chk=000064979-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064979

0 1
I -3.980985 2.486633 -1.052601
O 0.913086 0.521756 0.917307
O 1.568439 3.269400 1.009918
O -1.232435 -2.791109 0.918626
O -5.176992 -0.468414 -0.014469
N -1.049217 -0.584927 0.091798
N 3.355469 -1.157999 -0.427929
N -3.169461 -1.566509 0.439303
N 4.552145 -0.943459 -0.064090
N 5.681693 -0.949710 0.300092
C 2.513431 0.014708 -0.852022
C 1.131358 -0.558088 -1.220509
C 0.421632 -0.647809 0.148336
C 2.203856 0.988964 0.322840
C 2.009724 2.450457 -0.113428
C -1.781028 -1.731041 0.521398
C -1.689225 0.578036 -0.334300
C -3.055791 0.693564 -0.400699
C -3.920416 -0.431107 -0.001935
H 2.992863 0.540952 -1.700643
H 0.596018 0.132514 -1.895424
H 1.213841 -1.542395 -1.704839
H 0.670616 -1.581912 0.679411
H 2.963442 0.936043 1.124048
H 1.288868 2.504142 -0.960784
H 2.969762 2.887459 -0.438653
H -1.026470 1.408398 -0.587406
H -3.724666 -2.376359 0.736187
H 0.809544 2.803313 1.449667


