%chk=000039518.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039518

0 1
 O  -0.1997000      -1.952400     -8.6999997E-02
 O   -1.347500       2.586500     -0.2118000    
 O    2.635300      -1.317700     -0.1372000    
 N    3.323400       1.420700     -0.2276000    
 C  -0.7205000      0.2450000     -0.1476000    
 C   -1.924000     -0.5072000     -0.1119000    
 C   0.3100000     -0.6893000     -0.1306000    
 C   -1.552800      -1.831400     -7.5999998E-02
 C  -0.3884000       1.610300     -0.1927000    
 C    1.664000     -0.3600000     -0.1554000    
 C    1.971400       1.003200     -0.2001000    
 C   0.9655000       1.972500     -0.2185000    
 C   -3.303400      1.7400000E-02 -0.1129000    
 C   -2.311500      -3.090300     -2.9800000E-02
 C   -1.783300       3.082800       1.049200    
 C    2.661700      -2.190000      0.9898000    
 H    1.229000       3.028200     -0.2541000    
 H   -4.029800     -0.7580000     -0.3772000    
 H   -3.568300      0.4003000      0.8776000    
 H   -3.415900      0.8283000     -0.8395000    
 H   -2.824500      -3.262100     -0.9811000    
 H   -1.657000      -3.946600      0.1614000    
 H   -3.063000      -3.059500      0.7653000    
 H    3.549900       2.405800     -0.2589000    
 H    4.062100      0.7300000     -0.2125000    
 H  -0.9851000       3.664300       1.521000    
 H   -2.090200       2.267500       1.711700    
 H   -2.641600       3.739300      0.8823000    
 H    2.414000      -1.659200       1.915400    
 H    3.674800      -2.591300       1.084000    
 H    1.975500      -3.027800      0.8367000    


%chk=000039518-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039518

0 1
O -0.168985 -2.094983 0.368392
O -1.709564 2.355638 0.178099
O 2.760445 -1.152368 0.640395
N 3.158317 1.523541 0.612882
C -0.830230 0.120320 0.267800
C -2.028334 -0.714298 0.183644
C 0.281533 -0.759165 0.377725
C -1.602786 -2.028431 0.245573
C -0.580115 1.518284 0.281394
C 1.617482 -0.334544 0.477632
C 1.844453 1.072150 0.495308
C 0.746915 1.984014 0.400716
C -3.449017 -0.228553 0.057147
C -2.289848 -3.353377 0.215130
C -1.474129 3.798364 0.197187
C 2.806712 -2.387203 -0.165847
H 0.965315 3.056274 0.417690
H -4.162520 -1.069968 0.013177
H -3.723891 0.416050 0.911181
H -3.578089 0.384654 -0.852788
H -1.954065 -3.966800 -0.642625
H -2.089972 -3.934836 1.135073
H -3.380200 -3.213725 0.129051
H 3.376161 2.513122 0.648123
H 3.897010 0.832034 0.710814
H -0.841045 4.115040 -0.655285
H -1.000118 4.117101 1.146603
H -2.470479 4.256726 0.108755
H 1.992349 -3.074101 0.119643
H 3.785846 -2.840076 0.054585
H 2.730952 -2.151582 -1.245174


