%chk=000078885.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078885

0 1
 O   6.8000001E-03   1.739900     -1.1000000E-03
 O   -6.660100      -2.059500      -1.621100    
 O    6.659500      -2.058000       1.621200    
 N   -1.152300     -0.2938000      9.6500002E-02
 N    1.149500     -0.2983000     -9.5299996E-02
 N   -5.829300      -1.425100      0.4894000    
 N    5.827600      -1.424800     -0.4892000    
 C   -2.484500      0.1059000      0.2073000    
 C    2.500000      0.1085000     -0.2081000    
 C   -5.147600      0.9066000      0.4297000    
 C    5.143500      0.9062000     -0.4298000    
 C   -4.827200     -0.4508000      0.4037000    
 C    4.824500     -0.4516000     -0.4034000    
 C   -3.495600     -0.8511000      0.2926000    
 C    3.493300     -0.8532000     -0.2919000    
 C   -2.805000       1.463200      0.2333000    
 C    2.800300       1.460500     -0.2329000    
 C   -4.136500       1.863600      0.3446000    
 C    4.131400       1.862100     -0.3446000    
 C   7.4999998E-03  0.5131000     -6.0000003E-04
 C   -6.566100       1.359500      0.5481000    
 C    6.561400       1.360600     -0.5485000    
 C   -6.244600      -1.742300     -0.5670000    
 C    6.243500      -1.741300      0.5671000    
 H   -3.246900      -1.910300      0.2752000    
 H    3.242300      -1.911100     -0.2740000    
 H   -2.082100       2.264000      0.1718000    
 H    2.078600       2.260900     -0.1714000    
 H   -4.370700       2.924900      0.3620000    
 H    4.364500       2.923700     -0.3622000    
 H  -0.9974000      -1.298800      8.4100001E-02
 H   0.9960000      -1.303500     -8.2599998E-02
 H   -7.070800      0.8503000       1.376000    
 H   -6.631300       2.434200      0.7512000    
 H   -7.108600       1.164200     -0.3825000    
 H    6.625400       2.435200     -0.7519000    
 H    7.104200       1.166100      0.3820000    
 H    7.066600      0.8516000      -1.376300    


%chk=000078885-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000078885

0 1
O -0.003318 1.859367 0.013232
O -7.551891 -3.105249 0.245110
O 7.560235 -3.093390 -0.272426
N -1.167471 -0.192693 0.059765
N 1.165381 -0.191193 -0.025181
N -5.862182 -1.360583 0.195262
N 5.857897 -1.361639 -0.206761
C -2.515566 0.261113 0.087076
C 2.514217 0.262831 -0.067314
C -5.290649 1.006781 0.142187
C 5.288595 1.006351 -0.151463
C -4.894439 -0.365381 0.157084
C 4.891487 -0.365601 -0.160460
C -3.526668 -0.730954 0.130531
C 3.523634 -0.730180 -0.119708
C -2.886651 1.631784 0.071190
C 2.885837 1.633195 -0.057043
C -4.256855 1.970000 0.099718
C 4.256208 1.970514 -0.099946
C -0.000963 0.596328 0.022030
C -6.756825 1.393469 0.168285
C 6.754754 1.391885 -0.192810
C -6.704907 -2.223597 0.218039
C 6.699576 -2.225431 -0.236844
H -3.266426 -1.797244 0.143448
H 3.262641 -1.796199 -0.128358
H -2.113930 2.400925 0.040069
H 2.114071 2.402839 -0.018956
H -4.534182 3.030376 0.088574
H 4.534762 3.030596 -0.092984
H -1.057197 -1.209003 0.072077
H 1.056803 -1.207613 -0.036337
H -7.276132 0.966614 1.047458
H -6.873562 2.489997 0.204964
H -7.291643 1.025699 -0.728682
H 6.872000 2.488242 -0.232454
H 7.298184 1.025177 0.699403
H 7.264977 0.963165 -1.076376


