%chk=000097209.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097209

0 1
 O   -5.703300      -1.796800      0.4558000    
 O   -7.085900      8.4500000E-02 -0.1418000    
 O    4.033700      -2.783900     -0.2786000    
 O    6.279600       1.315100      0.1701000    
 N    3.952900       1.331900      0.1507000    
 N    5.184900     -0.7434000     -5.3900000E-02
 N    1.523900      -1.175800     -0.1339000    
 N    1.509500       1.041500      9.7400002E-02
 C    2.832200     -0.7887000     -8.1699997E-02
 C    2.794900      0.5716000      6.0100000E-02
 C    4.029000      -1.563000     -0.1508000    
 C   0.7658000     -3.8899999E-02 -2.2200000E-02
 C    5.215500      0.6902000      9.5399998E-02
 C    3.861900       2.778900      0.3008000    
 C  -0.6312000     -0.1918000     -5.0700001E-02
 C   -3.041100      0.6571000     -4.0300000E-02
 C    6.475000      -1.422700     -0.1116000    
 C   -4.971700     -0.6780000      0.2001000    
 C   -1.576900      0.8153000      9.1000004E-03
 C   -5.761200      0.3961000     -0.1413000    
 C   -3.596800     -0.5786000      0.2600000    
 C   -3.829400       1.756600     -0.3885000    
 C   -5.219500       1.628900     -0.4416000    
 C   -7.041900      -1.306100      0.2379000    
 H    1.186400      -2.124600     -0.2358000    
 H    4.851300       3.239500      0.3589000    
 H    3.311700       3.007300       1.218800    
 H    3.329700       3.193100     -0.5610000    
 H  -0.9917000      -1.212700     -0.1579000    
 H    6.379000      -2.505200     -0.2211000    
 H    7.028400      -1.200000      0.8063000    
 H    7.042400      -1.022800     -0.9579000    
 H   -1.222600       1.842300      8.6900003E-02
 H   -3.016600      -1.445900      0.5511000    
 H   -3.380600       2.718900     -0.6230000    
 H   -5.845000       2.472400     -0.7107000    
 H   -7.618000      -1.436200       1.161300    
 H   -7.509000      -1.901400     -0.5551000    


%chk=000097209-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097209

0 1
O -6.040957 -1.721715 0.032231
O -7.197768 0.384544 0.015163
O 4.427435 -2.846375 0.013167
O 6.221899 1.523438 -0.012478
N 3.883493 1.321169 -0.007852
N 5.310070 -0.635678 0.000196
N 1.660797 -1.442537 0.010619
N 1.457966 0.829858 -0.001189
C 2.957028 -0.928429 0.005530
C 2.790471 0.468898 -0.001618
C 4.230842 -1.591043 0.006887
C 0.772766 -0.364879 0.006057
C 5.196474 0.784607 -0.007086
C 3.691625 2.783930 -0.014988
C -0.663528 -0.527665 0.009329
C -2.989822 0.498244 0.005498
C 6.694386 -1.161819 0.000695
C -5.115618 -0.649358 0.019850
C -1.527860 0.541228 0.002280
C -5.801314 0.588927 0.009848
C -3.729068 -0.733782 0.018216
C -3.698406 1.736806 -0.004328
C -5.114212 1.805044 -0.002248
C -7.388372 -1.093736 0.024526
H 1.431230 -2.436121 0.015688
H 4.687349 3.250340 -0.020126
H 3.129129 3.095655 0.881055
H 3.124174 3.086153 -0.911141
H -1.035794 -1.559917 0.018230
H 6.625751 -2.259532 0.007992
H 7.236319 -0.801364 0.890188
H 7.232565 -0.813229 -0.895809
H -1.067921 1.538816 -0.006098
H -3.231967 -1.706788 0.026631
H -3.124067 2.669639 -0.013967
H -5.644492 2.760075 -0.009692
H -7.924993 -1.378208 0.945382
H -7.920313 -1.390496 -0.895337


