%chk=000037272.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037272

0 1
 O    5.958800     -0.9691000      0.3202000    
 O   -5.738200     -0.5144000      -1.125400    
 O    3.909400      -1.690500     -3.6699999E-02
 O   -4.227100      -1.801100     -0.1723000    
 N    4.307800      0.5220000     -3.8300000E-02
 N   -4.430100      0.3335000      0.5030000    
 N    4.753000     -0.7972000      0.1046000    
 N   -4.815500     -0.7246000     -0.3289000    
 C   0.4851000      0.5312000     -0.2564000    
 C  -0.6306000      0.2765000      0.7597000    
 C    1.890900      0.3638000      0.3288000    
 C   -2.011600      0.4263000      0.1160000    
 C    3.002400      0.6942000     -0.6669000    
 C   -3.124400      0.2071000       1.139600    
 C    5.288600       1.464400     -0.5903000    
 C   -4.618500       1.677800     -5.6699999E-02
 H   0.3692000     -0.1558000      -1.103900    
 H   0.3813000       1.547700     -0.6560000    
 H  -0.5257000     -0.7337000       1.173600    
 H  -0.5318000      0.9810000       1.594300    
 H    1.965100     -0.6557000      0.7185000    
 H    1.986000       1.028500       1.198300    
 H   -2.092000     -0.2849000     -0.7146000    
 H   -2.064200       1.432700     -0.3147000    
 H    2.909200      9.9500000E-02  -1.585200    
 H    2.854800       1.739500     -0.9696000    
 H   -3.037300      0.9519000       1.941700    
 H   -3.010100     -0.7611000       1.643900    
 H    6.214200       1.472700     -3.3000000E-03
 H    4.907900       2.491800     -0.5556000    
 H    5.536300       1.221500      -1.629900    
 H   -4.115300       1.810500      -1.021000    
 H   -4.267800       2.453100      0.6345000    
 H   -5.685800       1.877800     -0.2104000    


%chk=000037272-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037272

0 1
O 6.213505 -0.850906 0.482055
O -6.166914 -0.526247 -0.640051
O 4.341529 -1.925705 -0.333544
O -4.346646 -1.797464 -0.011842
N 4.498956 0.375831 -0.430723
N -4.396838 0.467693 0.435447
N 5.043221 -0.866434 -0.074691
N -4.998259 -0.680028 -0.101083
C 0.613625 0.450454 -0.532858
C -0.512869 0.368433 0.521712
C 2.022775 0.372893 0.096179
C -1.922963 0.468027 -0.101935
C 3.130844 0.405559 -0.982857
C -3.028371 0.351856 0.974407
C 5.261320 1.569183 -0.040813
C -5.099385 1.741044 0.230002
H 0.489174 -0.376073 -1.261907
H 0.511854 1.395440 -1.106901
H -0.421882 -0.588246 1.075248
H -0.376859 1.178847 1.268582
H 2.121581 -0.563792 0.676418
H 2.164526 1.216362 0.801737
H -2.061888 -0.341802 -0.842916
H -2.027457 1.431490 -0.640582
H 3.020230 -0.461706 -1.656592
H 3.054337 1.325784 -1.591380
H -2.916642 1.148609 1.733324
H -2.949276 -0.622877 1.485537
H 5.378956 1.637546 1.056255
H 4.711025 2.449858 -0.407572
H 6.269712 1.550888 -0.487876
H -5.213605 1.974453 -0.844497
H -4.506028 2.530779 0.717184
H -6.107286 1.707148 0.677133


