%chk=000001336.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001336

0 1
 O   -1.339700      -2.381600     -0.5268000    
 O   -3.877200     -0.9533000      -1.480600    
 O   -5.515700      0.7936000      0.2201000    
 O    4.858800       1.186400     -0.6480000    
 N   -1.879500      0.8558000      0.9203000    
 N    1.935600       1.782800     -0.6530000    
 N    2.025500      -1.389000      0.7804000    
 N    4.344500     -0.8450000      0.3214000    
 C  -0.9462000     -0.2168000      0.5173000    
 C   -1.638600     -0.9958000     -0.6008000    
 C   -3.129900      0.6760000      0.1657000    
 C   -3.110300     -0.7722000     -0.3023000    
 C   0.3803000      0.3767000      0.1270000    
 C   -4.356400       1.010900       1.004800    
 C    1.652200     -0.2001000      0.2738000    
 C   0.5842000       1.612800     -0.4531000    
 C    2.601700      0.6711000     -0.2087000    
 C    4.023000      0.4009000     -0.2157000    
 C    3.387700      -1.613100      0.7581000    
 H  -0.7881000     -0.8695000       1.386700    
 H   -1.371600     -0.6404000      -1.603200    
 H   -3.118600       1.337800     -0.7110000    
 H   -3.482100      -1.462800      0.4650000    
 H   -2.054600      0.7831000       1.922300    
 H   -4.338000       2.060000       1.319000    
 H   -4.418000      0.3795000       1.898000    
 H  -0.1039000       2.392400     -0.7502000    
 H   -1.577800      -2.701300      0.3600000    
 H   -3.742100      -1.869300      -1.777900    
 H    2.365200       2.599900      -1.064700    
 H    1.384400      -2.082400       1.151900    
 H   -6.282900       1.016800      0.7742000    
 H    3.645100      -2.597200       1.181800    


%chk=000001336-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000001336

0 1
O -1.068807 -2.213131 0.225324
O -3.478839 -1.042627 -1.972516
O -5.363000 -0.210921 1.003957
O 5.056345 0.855496 -0.142310
N -2.084317 1.294966 -0.069933
N 2.227527 1.982772 -0.188623
N 1.668974 -1.475829 0.450886
N 4.076571 -1.272551 0.274074
C -1.083371 0.313598 0.395068
C -1.509753 -0.951235 -0.411210
C -3.405493 0.622074 -0.186974
C -3.052123 -0.834144 -0.587781
C 0.346098 0.738411 0.163388
C -4.205123 0.683934 1.137955
C 1.506825 -0.105097 0.243423
C 0.838578 2.026520 -0.114243
C 2.660662 0.678531 0.028980
C 4.017851 0.146690 0.040149
C 2.964833 -1.975407 0.444885
H -1.198298 0.053783 1.484422
H -1.024546 -0.946729 -1.399221
H -4.010202 1.066695 -0.995128
H -3.578001 -1.549637 0.080633
H -2.082391 2.204701 0.404923
H -4.526742 1.732169 1.315943
H -3.561294 0.365681 1.988358
H 0.285784 2.946307 -0.288781
H -1.636565 -2.393584 1.016993
H -3.372421 -1.999490 -2.205845
H 2.863776 2.754577 -0.385144
H 0.826338 -2.075048 0.494428
H -6.029456 -0.016253 1.708382
H 3.047581 -3.058523 0.597339


