%chk=000031992.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031992

0 1
 O  -0.8704000       2.408000     -0.6065000    
 O   -4.007800      -1.964000      0.5927000    
 N   0.3189000      0.1118000      0.4776000    
 N   0.7394000     -0.7486000      -1.722900    
 N    5.259500     -0.4170000      0.4735000    
 C   -1.058600      0.1715000      0.2353000    
 C   -1.635100       1.321300     -0.3046000    
 C   -1.855900     -0.9326000      0.5371000    
 C   -3.229600     -0.8868000      0.2990000    
 C   -3.008800       1.366900     -0.5426000    
 C   -3.806100      0.2629000     -0.2408000    
 C    2.578400     -0.3566000     -0.1329000    
 C    1.115900     -0.3239000     -0.4637000    
 C    3.068000      0.5654000      0.7512000    
 C    3.360700      -1.307300     -0.7294000    
 C    4.424600      0.4931000       1.023500    
 C    4.704200      -1.295900     -0.3909000    
 C  -0.6931000       3.381100      0.4209000    
 C   -5.404200      -1.849200      0.3235000    
 H   -1.410800      -1.831000      0.9581000    
 H   -3.463500       2.259400     -0.9641000    
 H   -4.865100      0.3662000     -0.4511000    
 H    2.461200       1.329500       1.222100    
 H    2.988800      -2.059200      -1.414000    
 H  -0.2336000     -0.7605000      -2.009100    
 H    1.411800      -1.006600      -2.436900    
 H    4.891000       1.190200       1.712000    
 H    5.390500      -2.020800     -0.8162000    
 H  -0.2044000       2.937100       1.293900    
 H   -1.656300       3.814100      0.7090000    
 H  -5.4000001E-02   4.178000      3.0900000E-02
 H   -5.867900      -1.064200      0.9304000    
 H   -5.868900      -2.796300      0.6170000    
 H   -5.598200      -1.716200     -0.7463000    


%chk=000031992-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031992

0 1
O -1.013143 1.906876 -1.652206
O -4.120616 -1.633666 1.464882
N 0.228222 -0.071784 0.294371
N 1.116402 0.245515 -1.936185
N 5.188728 -0.950582 0.989319
C -1.152937 0.078611 0.044347
C -1.786119 1.007871 -0.850276
C -2.009599 -0.758564 0.810031
C -3.411960 -0.725870 0.658599
C -3.183954 1.046383 -0.989980
C -4.017493 0.177944 -0.253019
C 2.594056 -0.325234 -0.056626
C 1.218729 -0.022346 -0.581137
C 2.744874 -1.025412 1.167482
C 3.776825 0.065288 -0.737383
C 4.040329 -1.312120 1.643677
C 5.033896 -0.267248 -0.182607
C -0.484270 3.071205 -0.905766
C -5.579781 -1.636110 1.352144
H -1.560094 -1.455910 1.521529
H -3.611577 1.765636 -1.696482
H -5.101609 0.221562 -0.386350
H 1.848161 -1.321083 1.718130
H 3.741090 0.649908 -1.663331
H 0.285622 0.754369 -2.272977
H 1.891195 0.046623 -2.565222
H 4.183050 -1.855159 2.584473
H 5.960906 0.027353 -0.687921
H 0.168685 2.744283 -0.075168
H -1.322624 3.671690 -0.507392
H 0.091882 3.662444 -1.634046
H -6.009614 -0.656315 1.639431
H -5.920981 -2.409897 2.055478
H -5.905679 -1.896462 0.325879


