%chk=000039098.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039098

0 1
 O  -0.7612000      0.7332000      -1.339000    
 O    1.140800      0.4908000      0.4380000    
 O  -0.4576000       1.425900       1.801600    
 O   -1.410400       2.723300     -0.3619000    
 N    4.019200       1.551000     -0.2420000    
 C   -1.131600      2.6300000E-02 -0.1210000    
 C  -0.7509000      -1.460700     -0.2938000    
 C   -2.576800      0.2053000      0.2021000    
 C  -0.1467000      0.7437000      0.8324000    
 C  -0.3378000      -2.153100      0.8126000    
 C   -3.507200      0.3605000     -0.8253000    
 C  -0.8468000      -2.009100      -1.544700    
 C   -2.997700      0.2171000       1.531900    
 C   6.0000001E-03  -3.495800      0.6563000    
 C   -4.858600      0.5278000     -0.5230000    
 C  -0.5031000      -3.351900      -1.700900    
 C   -4.349000      0.3843000       1.834200    
 C  -7.6700002E-02  -4.095300     -0.6005000    
 C   -5.279600      0.5398000      0.8068000    
 C    2.164200       1.084400       1.243100    
 C  -0.9623000       2.070300      -1.294600    
 C    3.505500      0.7139000      0.6818000    
 C  -0.5395000       2.660500      -2.605700    
 C    4.125900     -0.4363000       1.130400    
 C    5.367900     -0.7513000      0.5905000    
 C    5.227800       1.212200     -0.7442000    
 C    5.936300      8.3499998E-02 -0.3652000    
 H  -0.2808000      -1.708600       1.800500    
 H   -3.211600      0.3377000      -1.870600    
 H   -1.186900      -1.451200      -2.410500    
 H   -2.313600      4.8900001E-02   2.357600    
 H   0.3348000      -4.075700       1.513800    
 H   -5.584000      0.6440000      -1.323000    
 H  -0.5703000      -3.819600      -2.678900    
 H   -4.678800      0.3816000       2.869100    
 H   0.1896000      -5.141200     -0.7219000    
 H   -6.332300      0.6663000       1.042100    
 H    2.050300       2.175200       1.227600    
 H    2.071800      0.7413000       2.280700    
 H  -0.7026000       3.741800      -2.585000    
 H   0.5244000       2.472400      -2.771400    
 H   -1.137800       2.234500      -3.415200    
 H    3.671800      -1.081800       1.874300    
 H    5.891500      -1.646300      0.9131000    
 H    5.627300       1.895600      -1.486200    
 H    6.903200     -0.1426000     -0.7999000    


%chk=000039098-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039098

0 1
O -1.082490 0.900816 -1.473913
O 1.105492 1.186226 0.064638
O -0.057959 0.747566 2.041466
O -1.177589 2.968069 -0.391940
N 4.650126 1.344588 1.078731
C -1.083497 0.177885 -0.153679
C -0.590532 -1.252568 -0.462061
C -2.511923 0.209370 0.411485
C -0.004084 0.772698 0.795341
C -0.639218 -2.217526 0.576244
C -3.466303 -0.680265 -0.147300
C -0.051997 -1.607057 -1.720652
C -2.932356 1.143386 1.390512
C -0.158811 -3.524966 0.353651
C -4.813907 -0.643691 0.266522
C 0.421336 -2.921579 -1.942432
C -4.280055 1.171450 1.810852
C 0.371900 -3.883762 -0.908317
C -5.225908 0.281970 1.252932
C 2.269762 1.699582 0.825736
C -1.162036 2.300408 -1.448052
C 3.479239 0.804676 0.619908
C -1.209113 2.842715 -2.857203
C 3.403002 -0.476824 0.025936
C 4.590485 -1.234191 -0.092717
C 5.784897 0.599283 0.957829
C 5.806399 -0.691983 0.381589
H -1.050177 -1.941348 1.553676
H -3.151238 -1.402818 -0.908212
H -0.014670 -0.860217 -2.517034
H -2.214995 1.841597 1.825089
H -0.199813 -4.262184 1.162864
H -5.538186 -1.336893 -0.175415
H 0.826724 -3.190980 -2.924231
H -4.590765 1.893934 2.573481
H 0.739567 -4.901205 -1.082410
H -6.270891 0.309417 1.581942
H 2.472978 2.712667 0.443109
H 2.006906 1.759984 1.897646
H -1.366825 3.930288 -2.828254
H -0.258030 2.622926 -3.373989
H -2.018166 2.357824 -3.429046
H 2.446052 -0.860657 -0.337010
H 4.563251 -2.230522 -0.546837
H 6.703181 1.062453 1.337219
H 6.746337 -1.247945 0.308402


