%chk=000071228.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071228

0 1
 O  -0.2390000       2.784400     -9.7599998E-02
 O    3.476300       2.218800      0.4623000    
 N  -0.3083000      0.4501000     -0.2031000    
 N    2.855300     -2.0600000E-02  0.3338000    
 N   0.9872000      -2.869000     -0.3384000    
 N    2.133500      -2.280500      6.9999998E-04
 C   0.4456000     -0.7425000     -0.2219000    
 C    1.851200     -0.9649000      2.0099999E-02
 C  -4.8400000E-02  -2.006600     -0.4877000    
 C    1.665500       1.688900     -0.9682000    
 C   0.2862000       1.703200     -0.3756000    
 C    2.734400       1.334500      2.7500000E-02
 C   -1.723700      0.3642000      4.6999998E-02
 C   -1.381300      -2.509700     -0.8743000    
 C    4.083100     -0.4783000      0.9880000    
 C   -2.224800     -0.6622000      0.8426000    
 C   -2.582600       1.308800     -0.5078000    
 C   -3.596100     -0.7447000       1.085600    
 C   -3.953700       1.226400     -0.2649000    
 C   -4.460300      0.1996000      0.5318000    
 H    1.710300       1.027300      -1.840800    
 H    1.879100       2.693900      -1.354100    
 H   0.9813000      -3.875700     -0.4462000    
 H   -1.242400      -3.322600      -1.602100    
 H   -1.922100      -2.977600     -4.7100000E-02
 H   -1.995100      -1.786800      -1.416900    
 H    4.744500      0.3559000       1.237200    
 H    4.619000      -1.151100      0.3111000    
 H    3.822800      -1.005900       1.911000    
 H   -1.586000      -1.327900       1.417500    
 H   -2.238100       2.092900      -1.174800    
 H   -3.987500      -1.524100       1.732900    
 H   -4.628500       1.955400     -0.7042000    
 H   -5.527300      0.1384000      0.7252000    


%chk=000071228-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000071228

0 1
O -0.317695 2.762389 -0.687373
O 3.510090 2.160681 0.453163
N -0.310585 0.424635 -0.425270
N 2.671955 -0.018758 0.515909
N 1.050796 -2.907300 -0.658651
N 2.176750 -2.295066 -0.122397
C 0.443028 -0.784419 -0.461762
C 1.790070 -0.986184 -0.001296
C -0.003197 -2.048818 -0.909978
C 1.767815 1.578285 -1.177696
C 0.295853 1.664537 -0.756541
C 2.721314 1.288736 -0.004803
C -1.676960 0.377099 0.065752
C -1.306759 -2.498692 -1.498708
C 3.676508 -0.438858 1.518898
C -1.981992 -0.427793 1.191434
C -2.701354 1.120896 -0.568871
C -3.306793 -0.494315 1.673948
C -4.022056 1.053356 -0.074519
C -4.333977 0.245565 1.043362
H 1.897447 0.809715 -1.962700
H 2.045066 2.564691 -1.573849
H 1.083890 -3.909641 -0.832108
H -1.198922 -3.470287 -2.012852
H -2.090332 -2.599374 -0.724956
H -1.675499 -1.762543 -2.232913
H 4.189169 0.468380 1.872141
H 4.407830 -1.131721 1.068457
H 3.175210 -0.948277 2.358357
H -1.182241 -0.983670 1.692448
H -2.463242 1.757603 -1.423323
H -3.531775 -1.113595 2.549357
H -4.808651 1.636159 -0.566104
H -5.360658 0.198582 1.422046


