%chk=000016642.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016642

0 1
 O   -2.242900     -0.9089000      -2.153600    
 O   0.9162000       2.603500     -8.0799997E-02
 O   -1.775700       1.412800       1.800700    
 O   -3.303500     -0.8746000       2.331900    
 N   -1.770700      0.5560000     -0.3959000    
 N   -2.994100      -1.272600      2.8800000E-02
 N    1.016000      0.3167000     -0.5990000    
 C  -0.9914000       1.546300      -1.110200    
 C   -2.326500     -0.5796000     -0.9758000    
 C   0.4166000       1.570900     -0.5184000    
 C   -1.641100       2.918600      -1.022700    
 C   -2.058500      0.6113000      0.9357000    
 C   -2.883700     -0.6231000       1.222400    
 C    2.309300     -5.2200001E-02 -0.1584000    
 C   -3.705500      -2.517100     -0.1799000    
 C    2.755300      -1.354500     -0.3176000    
 C    3.108200      0.9154000      0.4307000    
 C    4.033300      -1.698400      0.1234000    
 C    1.903900      -2.406700     -0.9509000    
 C    4.386100      0.5715000      0.8715000    
 C    4.848600     -0.7353000      0.7179000    
 H  -0.9113000       1.254700      -2.164200    
 H   -1.087100       3.646600      -1.625800    
 H   -1.674000       3.305400      1.3000000E-03
 H   -2.669900       2.885600      -1.397900    
 H   0.4611000     -0.4232000      -1.019800    
 H   -4.155300      -2.867400      0.7521000    
 H   -3.001500      -3.261600     -0.5627000    
 H   -4.479200      -2.355600     -0.9359000    
 H    2.829600       1.945400      0.5925000    
 H    4.409900      -2.711800      1.1800000E-02
 H   0.9829000      -2.554000     -0.3768000    
 H    1.653300      -2.131000      -1.980600    
 H    2.416700      -3.374100     -0.9915000    
 H    5.021900       1.320000       1.335800    
 H    5.843500      -1.002900       1.061600    


%chk=000016642-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016642

0 1
O -1.351570 -1.344334 -1.330864
O 0.779396 2.434302 0.402248
O -3.086892 2.177439 1.276616
O -4.514545 -0.428771 2.014626
N -1.997167 0.683931 -0.257079
N -3.047881 -1.261131 0.338341
N 1.077924 0.334228 -0.635200
C -1.034685 1.535032 -1.021457
C -2.060941 -0.714142 -0.506918
C 0.372644 1.491895 -0.334668
C -1.523424 2.978526 -1.197061
C -2.894670 1.056138 0.774167
C -3.621137 -0.267842 1.162143
C 2.368652 -0.070039 -0.174616
C -3.402289 -2.685743 0.363493
C 2.878494 -1.315212 -0.664592
C 3.127784 0.717428 0.730437
C 4.150079 -1.736706 -0.213194
C 2.090800 -2.163363 -1.650682
C 4.394265 0.265953 1.157465
C 4.911682 -0.962135 0.691340
H -0.954816 1.042959 -2.009738
H -0.855286 3.490966 -1.910038
H -1.492869 3.525092 -0.244222
H -2.550796 3.001438 -1.598809
H 0.577567 -0.347246 -1.219919
H -4.180055 -2.817373 1.132369
H -2.521782 -3.298466 0.617662
H -3.792227 -3.005831 -0.616638
H 2.720001 1.666199 1.083298
H 4.549105 -2.689265 -0.581715
H 1.102163 -2.470471 -1.256654
H 1.909778 -1.629195 -2.604784
H 2.645404 -3.084199 -1.894973
H 4.973253 0.879536 1.856230
H 5.894540 -1.313494 1.023086


