%chk=000099895.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099895

0 1
 O   -1.298000      -2.633000      0.5914000    
 O   -1.529600       2.689800      0.7199000    
 N   -2.367900     -0.6568000      3.2600001E-02
 N  -0.3427000      0.7392000       1.031500    
 C   -2.253500      0.7100000     -0.4524000    
 C   -3.699200       1.186400     -0.5349000    
 C   -3.721800      -1.166500     -0.1021000    
 C   -4.452400     -9.1899998E-02 -0.8957000    
 C  -2.7000001E-03 -0.6046000      0.5761000    
 C   -1.284000      -1.413600      0.4344000    
 C   -1.387700       1.487100      0.5128000    
 C   0.8195000     -0.6025000     -0.7030000    
 C    2.262300     -0.2573000     -0.4416000    
 C    2.665200       1.069900     -0.4829000    
 C    3.167400      -1.271700     -0.1636000    
 C    4.001200       1.389300     -0.2410000    
 C    4.503500     -0.9522000      7.8500003E-02
 C    4.920400      0.3783000      3.9799999E-02
 H   -1.784700      0.6910000      -1.442000    
 H   -3.836200       1.978000      -1.277600    
 H   -4.050100       1.566500      0.4325000    
 H   -4.136100      -1.276100      0.9058000    
 H   -3.724000      -2.143200     -0.5943000    
 H   -5.518200     -4.2599998E-02 -0.6568000    
 H   -4.351100     -0.2876000      -1.970100    
 H   0.5592000      -1.060100       1.401700    
 H   0.3055000       1.205700       1.658700    
 H   0.4132000      9.0300001E-02  -1.449900    
 H   0.7768000      -1.590600      -1.181100    
 H    1.958200       1.865200     -0.7016000    
 H    2.852500      -2.310800     -0.1288000    
 H    4.326100       2.425300     -0.2713000    
 H    5.219000      -1.739300      0.2977000    
 H    5.960600      0.6271000      0.2283000    


%chk=000099895-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099895

0 1
O -1.449353 -2.713555 0.409721
O -1.349679 2.724172 0.733555
N -2.397032 -0.671553 -0.181901
N -0.225816 0.686626 0.864479
C -2.311270 0.791308 -0.430619
C -3.767357 1.263877 -0.215000
C -3.783156 -1.188631 -0.337437
C -4.594367 0.067034 -0.755806
C -0.020686 -0.724089 0.472623
C -1.354317 -1.458167 0.233500
C -1.265534 1.492911 0.447017
C 0.921137 -0.877522 -0.772034
C 2.328391 -0.380869 -0.482716
C 2.707706 0.956275 -0.769921
C 3.278742 -1.239888 0.129800
C 4.004077 1.423933 -0.453935
C 4.575163 -0.776496 0.445625
C 4.941746 0.559062 0.155703
H -2.021524 0.979171 -1.489228
H -3.973897 2.211984 -0.734234
H -3.947205 1.420229 0.863271
H -4.122110 -1.613591 0.625775
H -3.813612 -2.000138 -1.085252
H -5.619591 0.046088 -0.351657
H -4.666787 0.122847 -1.857603
H 0.454368 -1.249804 1.320129
H 0.516332 1.148887 1.399033
H 0.477046 -0.325163 -1.621792
H 0.930694 -1.951534 -1.034731
H 1.987534 1.631066 -1.249027
H 3.002528 -2.279033 0.349956
H 4.281703 2.458398 -0.685438
H 5.299092 -1.454620 0.911373
H 5.947735 0.919484 0.397771


