%chk=000176836.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176836

0 1
 O  -0.6475000      0.4427000      0.1378000    
 O    4.861500      0.5659000     -0.6657000    
 O   -2.207300     -0.3963000       1.600000    
 N   -2.810000      0.3324000     -0.5185000    
 C    1.650700      0.6978000      0.4833000    
 C    1.745400       2.123000      2.0099999E-02
 C    3.151900       2.262100     -0.5432000    
 C    2.761300     -2.5800001E-02  0.2901000    
 C   -4.226600      5.9900001E-02 -0.4376000    
 C    3.728200      0.8925000     -0.3440000    
 C   0.3694000      0.2398000       1.095400    
 C    3.094500      -1.437500      0.5903000    
 C   -4.896200      0.4633000      -1.756300    
 C   -4.434900      -1.437300     -0.1868000    
 C   -4.833200      0.8686000      0.7149000    
 C   -1.922500      8.1200004E-02  0.5066000    
 C    2.746400      -2.363500     -0.5406000    
 C    1.868900      -3.369000     -0.4461000    
 H    1.001100       2.345400     -0.7521000    
 H    1.590600       2.817700      0.8528000    
 H    3.736400       3.000800      1.2300000E-02
 H    3.136000       2.511600      -1.607800    
 H   0.1617000      0.8299000       1.995600    
 H   0.4104000     -0.8193000       1.370900    
 H    4.165500      -1.534800      0.8056000    
 H    2.586100      -1.748600       1.511400    
 H   -2.435700      0.7321000      -1.374200    
 H   -4.473100     -9.3000002E-02  -2.600800    
 H   -5.974400      0.2701000      -1.733100    
 H   -4.750000       1.529800      -1.964100    
 H   -4.063500      -1.764100      0.7892000    
 H   -3.927000      -2.039700     -0.9492000    
 H   -5.500800      -1.692000     -0.2204000    
 H   -4.461800      0.5586000       1.696500    
 H   -4.614400       1.937300      0.6048000    
 H   -5.923300      0.7544000      0.7385000    
 H    3.256800      -2.209500      -1.488400    
 H    1.669300      -4.006000      -1.300800    
 H    1.336600      -3.572200      0.4765000    


%chk=000176836-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176836

0 1
O -0.783054 -0.753733 -0.494011
O 4.637093 1.525743 0.358405
O -1.990805 -0.044486 1.413828
N -2.939839 -0.097733 -0.748516
C 1.399163 0.080879 0.303114
C 0.958812 1.537696 0.223865
C 2.277293 2.349230 0.256990
C 2.766019 -0.055918 0.360668
C -4.320684 0.389611 -0.434788
C 3.395678 1.294840 0.331503
C 0.387446 -1.030900 0.375290
C 3.621164 -1.306011 0.451689
C -5.081015 0.420394 -1.781887
C -5.011130 -0.588337 0.551399
C -4.249817 1.814079 0.174460
C -1.942737 -0.266567 0.173927
C 3.436185 -2.264631 -0.713200
C 3.163410 -3.589338 -0.599925
H 0.377487 1.712060 -0.700880
H 0.279956 1.778470 1.064320
H 2.345493 3.017344 1.134377
H 2.424023 2.981293 -0.636813
H 0.021114 -1.139539 1.417059
H 0.801788 -1.987059 0.019366
H 4.674882 -0.958552 0.476494
H 3.438307 -1.841108 1.403448
H -2.716569 -0.354902 -1.711826
H -5.136726 -0.588396 -2.232666
H -6.112756 0.776299 -1.621122
H -4.593711 1.105752 -2.500594
H -4.440339 -0.651631 1.492803
H -5.082833 -1.599736 0.112037
H -6.032038 -0.234567 0.782687
H -3.669766 1.804611 1.112314
H -3.772502 2.517261 -0.531946
H -5.268499 2.180010 0.396047
H 3.555119 -1.820786 -1.713197
H 3.068348 -4.233138 -1.481314
H 3.042540 -4.070207 0.379496


