%chk=000015632.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015632

0 1
 O   -2.817100       1.770600      -2.059100    
 O   -4.233700      -1.037300     -0.2940000    
 O   -1.973400      0.3024000       2.226900    
 O    3.853300      0.1019000     -0.4980000    
 O   -6.201100     -9.3999997E-02  0.4363000    
 O    7.267200     -0.5902000     -0.2170000    
 O    6.054900      0.1388000      -1.901200    
 N   -2.785900       1.074100      0.1720000    
 N  -0.6199000      0.6396000      0.3448000    
 N   0.5526000      0.2680000      0.8792000    
 N    6.148700     -0.2448000     -0.6986000    
 C  -0.7481000       1.079500      -1.013200    
 C   -2.237800       1.360700      -1.061700    
 C   -1.817000      0.6339000       1.058900    
 C   -4.191600       1.216400      0.4957000    
 C   -4.996100     -3.1099999E-02  0.2155000    
 C    1.546400      0.3439000      5.3700000E-02
 C    2.899800     -1.6100001E-02  0.4431000    
 C   -4.926300      -2.255900     -0.5853000    
 C    3.385900     -0.4644000       1.626300    
 C    5.007300     -0.2877000      0.1042000    
 C    4.772900     -0.6458000       1.411500    
 C   -3.941000      -3.262500      -1.140000    
 H  -0.5138000      0.2792000      -1.720300    
 H  -0.2038000       2.011200      -1.189300    
 H   -4.609100       2.028800     -0.1071000    
 H   -4.283600       1.444100       1.562100    
 H    1.492200      0.6744000     -0.9970000    
 H   -5.378000      -2.647400      0.3329000    
 H   -5.712100      -2.061500      -1.323700    
 H    2.835800     -0.6453000       2.538700    
 H    5.505400     -0.9946000       2.125800    
 H   -4.437500      -4.208200      -1.374300    
 H   -3.466900      -2.876800      -2.048600    
 H   -3.138500      -3.452900     -0.4196000    


%chk=000015632-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000015632

0 1
O -3.214021 1.898287 -2.050768
O -4.237325 -1.055099 -0.252919
O -1.851726 0.360840 2.179872
O 3.995904 0.066391 -0.543460
O -6.227049 -0.218452 0.636305
O 7.390299 -0.815338 0.193666
O 6.425119 -0.045454 -1.751022
N -2.849764 1.186667 0.178636
N -0.628410 0.753452 0.145600
N 0.585127 0.369946 0.639328
N 6.376004 -0.407245 -0.510432
C -0.953465 1.229643 -1.218266
C -2.466132 1.491310 -1.135174
C -1.773325 0.713069 0.990799
C -4.227573 1.197477 0.651687
C -5.018835 -0.084408 0.350101
C 1.637981 0.410493 -0.161503
C 2.917230 0.003536 0.366053
C -4.927068 -2.353203 -0.564631
C 3.374477 -0.458753 1.610396
C 5.116843 -0.366697 0.172126
C 4.778444 -0.694359 1.484487
C -3.875835 -3.276554 -1.167636
H -0.740809 0.464111 -1.987539
H -0.411836 2.158501 -1.476841
H -4.767896 2.039898 0.187647
H -4.226742 1.339911 1.746450
H 1.625628 0.733194 -1.215332
H -5.352770 -2.744240 0.376409
H -5.756994 -2.135713 -1.260099
H 2.750693 -0.600642 2.489493
H 5.469466 -1.055652 2.241435
H -4.335861 -4.251368 -1.411113
H -3.459764 -2.850595 -2.096637
H -3.049917 -3.451952 -0.457519


