%chk=000100440.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100440

0 1
 O  -2.2600001E-02  -2.292400      -1.737200    
 O    2.227000      0.7640000       2.085400    
 O  -0.5787000       1.377100      -2.079400    
 N   0.5257000     -0.6325000       1.455600    
 N    1.609800     -0.8388000      -1.070400    
 N  -0.7456000       1.865500      0.1878000    
 C   4.4399999E-02  -1.696400      0.5992000    
 C   -1.471800      -1.919200      0.7416000    
 C    1.996700      0.2947000     -0.2566000    
 C   -2.374800     -0.8244000      0.1495000    
 C   -2.546400      0.4190000       1.034600    
 C   0.4797000      -1.594300     -0.8559000    
 C    1.443900       1.620600     -0.8035000    
 C    1.657900      0.1118000       1.209500    
 C   -2.182000       1.727500      0.3297000    
 C  -6.3400000E-02   1.617800     -0.9900000    
 H   0.5450000      -2.597100      0.9804000    
 H   -1.728100      -2.071800       1.797700    
 H   -1.723400      -2.858200      0.2303000    
 H    3.091700      0.3310000     -0.3163000    
 H   -3.371600      -1.269200      2.5100000E-02
 H   -2.050100     -0.5625000     -0.8618000    
 H   -3.603700      0.4835000       1.321900    
 H   -1.983400      0.3265000       1.969700    
 H   0.2127000     -0.6571000       2.421500    
 H    1.889300       1.828100      -1.784600    
 H    1.721800       2.454900     -0.1479000    
 H    2.017300     -0.8850000      -1.999400    
 H   -2.666800       1.795800     -0.6497000    
 H   -2.516700       2.575500      0.9362000    
 H  -0.2195000       2.107300       1.022200    


%chk=000100440-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100440

0 1
O 0.290943 -2.822098 -1.554254
O 1.674561 1.142306 1.995693
O -0.710975 1.635470 -2.107639
N 0.655290 -0.890250 1.558499
N 1.375980 -0.821253 -1.114581
N -0.736821 2.049308 0.196284
C 0.087554 -1.955520 0.705212
C -1.476156 -1.980380 0.711456
C 1.834495 0.306901 -0.286538
C -2.169646 -0.739944 0.087855
C -2.449508 0.452512 1.053855
C 0.598600 -1.899054 -0.743816
C 1.426725 1.692208 -0.893048
C 1.376444 0.210391 1.177587
C -2.180910 1.836859 0.401600
C -0.098195 1.816811 -1.010625
H 0.427631 -2.933824 1.100698
H -1.823724 -2.141900 1.752461
H -1.750500 -2.884658 0.137737
H 2.943931 0.297359 -0.243684
H -3.131463 -1.069021 -0.348157
H -1.575262 -0.389933 -0.775746
H -3.501602 0.422523 1.399666
H -1.825072 0.375378 1.966422
H 0.403730 -0.910612 2.552808
H 1.858157 1.791078 -1.903288
H 1.859007 2.472430 -0.242152
H 1.628399 -0.801064 -2.108315
H -2.666556 1.904139 -0.587305
H -2.579193 2.648094 1.038966
H -0.151563 2.187444 1.027550


