%chk=000114682.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114682

0 1
 O   -1.297300     -0.7363000     -0.7313000    
 O   -1.007100       2.684300      0.2074000    
 O   -3.262700       1.095000       1.636000    
 O   -3.411200      -2.606300     -0.7518000    
 O    1.825400       1.829200      -1.397400    
 N   0.8479000      6.9499999E-02 -0.2689000    
 N    3.237800      0.3919000     -0.3529000    
 N    4.679400      -1.085700      0.7179000    
 C   -1.134300       1.302000      0.4874000    
 C   -2.581600      0.8690000      0.4173000    
 C  -0.4965000      0.4492000     -0.5982000    
 C   -2.434600     -0.6159000      0.1379000    
 C   -3.654900      -1.227400     -0.5261000    
 C    1.049300      -1.064800      0.5022000    
 C    1.969200      0.8172000     -0.7091000    
 C    2.260800      -1.490900      0.8542000    
 C    3.410300     -0.6801000      0.3753000    
 H  -0.7132000       1.120000       1.483000    
 H   -3.118600       1.387900     -0.3859000    
 H  -0.4993000      0.9627000      -1.566900    
 H   -2.208500      -1.174100       1.055600    
 H   -3.845900     -0.7614000      -1.498400    
 H   -4.541900      -1.124100      0.1064000    
 H   -1.389200       2.857000     -0.6698000    
 H   -3.223000       2.049300       1.818600    
 H   0.1815000      -1.613000      0.8478000    
 H   -4.205900      -2.971500      -1.176900    
 H    2.425100      -2.369900       1.463000    
 H    5.493200     -0.5631000      0.4123000    
 H    4.846000      -1.913300       1.280800    


%chk=000114682-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000114682

0 1
O -1.392908 -0.764983 -0.840605
O -1.134373 2.788120 -0.290204
O -3.383325 1.298471 1.434162
O -3.514839 -2.754947 -0.052016
O 1.502066 2.200178 -0.375967
N 0.838693 -0.040952 -0.250128
N 3.107616 0.614907 0.272076
N 4.666693 -0.972403 0.926633
C -1.197454 1.429589 0.192687
C -2.659188 0.947121 0.220537
C -0.508769 0.393646 -0.751244
C -2.511706 -0.582124 0.145277
C -3.734672 -1.330973 -0.343610
C 1.126010 -1.360528 0.009962
C 1.845470 0.996731 -0.120712
C 2.392822 -1.736272 0.420602
C 3.379810 -0.687258 0.536768
H -0.767379 1.332704 1.213796
H -3.166372 1.343537 -0.685195
H -0.371614 0.824186 -1.760221
H -2.208978 -0.977540 1.135586
H -3.865460 -1.151811 -1.431026
H -4.616134 -0.940575 0.207555
H -0.149443 2.973523 -0.388963
H -3.408109 2.286429 1.502534
H 0.300187 -2.060919 -0.140071
H -4.281785 -3.282450 -0.387577
H 2.621760 -2.782598 0.630177
H 5.326694 -0.198544 0.989127
H 4.964886 -1.917866 1.149559


