%chk=000044862.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044862

0 1
 O  -0.9237000       1.440200       1.161800    
 N    2.257100      0.3400000      2.2800000E-02
 N   -3.191300      0.1660000     -0.9993000    
 C  -2.7500000E-02 -0.6921000      0.3711000    
 C    1.391500     -0.3973000      0.9393000    
 C  -0.7977000      0.6151000      2.0000001E-03
 C  -0.8034000      -1.511500       1.429600    
 C   8.9199997E-02  -1.578200     -0.8927000    
 C    1.698000       1.662300     -0.2590000    
 C    2.445300     -0.4090000      -1.219900    
 C   -2.137500      0.3646000     -0.5558000    
 H    1.311100      0.1567000       1.884300    
 H    1.886100      -1.340400       1.210000    
 H  -0.3706000       1.176600     -0.8131000    
 H  -0.2747000      -2.442200       1.666900    
 H   -1.807900      -1.786200       1.091000    
 H  -0.9108000     -0.9487000       2.363400    
 H   0.8522000      -2.356800     -0.8123000    
 H  -0.8412000      -2.157800     -0.9984000    
 H   0.1191000      -1.038300      -1.839000    
 H    1.181800       2.142700      0.5737000    
 H    1.238900       1.803800      -1.241100    
 H    2.584500       2.308600     -0.3588000    
 H    3.399000     -4.6799999E-02  -1.632700    
 H    1.752500     -0.1925000      -2.032300    
 H    2.646800      -1.473500      -1.070900    
 H   -1.352700       2.269900      0.8904000    


%chk=000044862-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044862

0 1
O -1.100526 1.375969 1.037075
N 1.761063 0.491874 -0.562560
N -3.654291 -0.219243 -0.682245
C -0.247320 -0.816365 0.319768
C 1.199476 -0.274094 0.576984
C -1.123942 0.408285 -0.081943
C -0.778514 -1.482795 1.610296
C -0.247792 -1.819484 -0.859829
C 2.111234 1.890809 -0.237203
C 2.837041 -0.197412 -1.301021
C -2.520422 0.042470 -0.413378
H 1.166392 0.367520 1.476687
H 1.842985 -1.146843 0.820806
H -0.643620 0.854077 -0.980937
H -0.104077 -2.302003 1.922648
H -1.782862 -1.915794 1.450574
H -0.845447 -0.750357 2.433078
H 0.405208 -2.680216 -0.624302
H -1.262229 -2.211439 -1.055594
H 0.125259 -1.342462 -1.784501
H 1.260297 2.372937 0.273071
H 2.322784 2.447801 -1.168824
H 3.009048 1.978943 0.424234
H 3.785075 -0.289061 -0.713314
H 3.067706 0.358153 -2.228684
H 2.514554 -1.212714 -1.586609
H -1.682981 2.146643 0.816724


