%chk=000086164.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086164

0 1
 O    3.143500       1.129100      6.7400001E-02
 O    6.073100      -2.023100      0.5232000    
 O   -3.088100       2.303800      0.1203000    
 N    5.215800     -7.3899999E-02 -0.4742000    
 C    3.771000      5.0999999E-02 -0.6253000    
 C    3.660500      -1.343900      2.9500000E-02
 C    5.195700      -1.299000      0.1135000    
 C    1.782800       1.155200      7.0299998E-02
 C  -0.9821000       1.205500      7.5700000E-02
 C    1.084200       1.231100      -1.134600    
 C    1.086700       1.104500       1.278100    
 C  -0.3105000       1.256600      -1.131800    
 C  -0.3079000       1.129900       1.280800    
 C   -2.460600       1.232100      7.8900002E-02
 C   -3.234800      2.9000000E-03  1.5300000E-02
 C   -2.583600      -1.229800     -3.2600001E-02
 C   -4.628700      5.6200001E-02  2.7000001E-03
 C   -3.326100      -2.409100     -9.3300000E-02
 C   -5.371100      -1.123200     -5.7900000E-02
 C   -4.719700      -2.355800     -0.1059000    
 H    3.525900      5.0700001E-02  -1.695200    
 H    3.270500      -2.133700     -0.6173000    
 H    3.174800      -1.383400       1.008000    
 H    5.994900      0.5269000     -0.7057000    
 H    1.609600       1.286300      -2.083900    
 H    1.625600       1.044200       2.219700    
 H  -0.8481000       1.319400      -2.073500    
 H  -0.8436000       1.090200       2.224900    
 H   -1.502000      -1.322100     -2.4800001E-02
 H   -5.164500       1.001000      3.9200000E-02
 H   -2.819500      -3.369100     -0.1306000    
 H   -6.456400      -1.082300     -6.7800000E-02
 H   -5.297800      -3.274000     -0.1532000    


%chk=000086164-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086164

0 1
O 3.089987 0.131372 0.779868
O 7.120021 -1.089932 -0.209443
O -2.622111 1.259031 -1.971625
N 5.458295 0.478309 0.619725
C 4.188777 0.564492 -0.098309
C 4.731243 -0.524791 -1.095825
C 6.019298 -0.516217 -0.208556
C 1.778929 0.234310 0.287428
C -0.943253 0.362050 -0.506398
C 1.451782 0.539802 -1.060668
C 0.753900 0.001574 1.237796
C 0.098221 0.612716 -1.437531
C -0.592254 0.057883 0.840301
C -2.360318 0.512254 -0.973596
C -3.478096 -0.211880 -0.273568
C -3.304084 -1.481816 0.340892
C -4.774778 0.368842 -0.307110
C -4.405253 -2.149124 0.921144
C -5.868862 -0.289523 0.288164
C -5.686598 -1.551130 0.905801
H 3.943392 1.558328 -0.515615
H 4.896154 -0.196932 -2.134057
H 4.168801 -1.470466 -1.070306
H 5.782609 0.948532 1.466926
H 2.230486 0.706613 -1.810900
H 1.035485 -0.211476 2.273189
H -0.179343 0.869102 -2.465304
H -1.376723 -0.096950 1.587517
H -2.320704 -1.963491 0.332681
H -4.899273 1.332544 -0.811969
H -4.265685 -3.134957 1.378186
H -6.862050 0.172186 0.268228
H -6.538492 -2.067055 1.362834


