%chk=000099692.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099692

0 1
 O    2.173600      0.4781000       1.025200    
 O    4.757700      0.2646000     -0.6024000    
 O    1.441700       3.176700       1.214100    
 O    1.175700      -3.337300     -0.1003000    
 O   -2.655500      0.5065000      0.5022000    
 O   -3.268000      -2.174100      0.2253000    
 N   0.6470000      -1.079300      0.1774000    
 N   -1.036500      -2.749700      6.4000003E-02
 C    3.492200      0.8448000     -0.9107000    
 C    2.017300     -0.6582000      0.1635000    
 C    2.493500     -0.2464000      -1.220100    
 C    2.908400       1.504500      0.3308000    
 C    1.939600       2.633100      2.3000001E-03
 C  -0.3636000     -0.1384000      0.3287000    
 C   0.3315000      -2.449400      3.7000000E-02
 C   -1.665200     -0.4375000      0.3526000    
 C   -2.083400      -1.852200      0.2110000    
 C   -3.077100       1.000400     -0.7557000    
 C   -4.167300       1.962100     -0.5896000    
 C   -5.061600       2.751500     -0.4553000    
 H    3.642800       1.542900      -1.739500    
 H    2.658600      -1.454000      0.5608000    
 H    1.668800      0.1658000      -1.814200    
 H    2.912700      -1.095100      -1.769700    
 H    3.684700       1.861100       1.016900    
 H    1.096200       2.305600     -0.6101000    
 H    2.461900       3.430400     -0.5370000    
 H    5.068900     -0.1953000      -1.400700    
 H  -7.5199999E-02  0.8950000      0.4419000    
 H   -1.286900      -3.729600     -3.5700001E-02
 H   0.8377000       3.900600      0.9761000    
 H   -2.239000       1.494700      -1.263700    
 H   -3.423300      0.1766000      -1.392900    
 H   -5.855000       3.451800     -0.3361000    


%chk=000099692-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099692

0 1
O 2.213128 0.566810 1.126231
O 5.050915 0.484835 0.078291
O 1.013135 3.036357 0.554473
O 1.298778 -3.126431 -0.584207
O -2.606168 0.674677 0.451769
O -3.260199 -2.043169 -0.574503
N 0.666186 -0.970387 0.100834
N -0.972565 -2.514605 -0.585396
C 3.808237 0.765314 -0.649766
C 2.121346 -0.675006 0.386895
C 2.961335 -0.506113 -0.910969
C 2.925127 1.586129 0.309581
C 1.950290 2.508431 -0.439884
C -0.332740 -0.023075 0.318966
C 0.392862 -2.268188 -0.369927
C -1.666141 -0.304838 0.097379
C -2.075347 -1.639481 -0.366035
C -3.749242 0.864906 -0.505314
C -4.520827 2.027713 -0.066207
C -5.200224 3.001728 0.262148
H 4.025759 1.310843 -1.592067
H 2.487575 -1.498680 1.020775
H 2.294826 -0.356808 -1.778843
H 3.571968 -1.401171 -1.107717
H 3.531066 2.164696 1.024044
H 1.409720 1.950829 -1.236593
H 2.539507 3.321497 -0.915733
H 5.583148 -0.182795 -0.423590
H -0.008119 0.942879 0.722471
H -1.207010 -3.460036 -0.905772
H 0.403406 3.691562 0.131666
H -3.343723 1.033656 -1.523950
H -4.357907 -0.056662 -0.515911
H -5.795197 3.844885 0.562962


