%chk=000068996.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068996

0 1
 O  -0.1045000      0.9735000       1.680500    
 O   8.6000003E-03   3.010300       2.768300    
 O   -3.705500      -2.602000       1.331900    
 O    2.611600      -3.035000      -2.043100    
 O   -5.130000      -1.645300     -0.8541000    
 O    4.118800      -3.530400      0.2386000    
 C   3.5000000E-02  0.4292000      0.3178000    
 C   0.4572000       1.668600     -0.4155000    
 C   -1.356900     -0.1319000      4.6999999E-03
 C    1.135500     -0.6390000      0.2933000    
 C   0.4761000       2.754000      0.4412000    
 C   0.1020000       2.320700       1.773200    
 C   0.8308000       1.841300      -1.742100    
 C   -1.911000      -1.124000      0.8162000    
 C    1.381700      -1.364200     -0.8744000    
 C   -2.074700      0.3470000      -1.093400    
 C    1.894000     -0.8900000       1.438600    
 C   0.8342000       4.029200      3.9500002E-02
 C    1.196600       3.118300      -2.180600    
 C    1.195800       4.206400      -1.295000    
 C   -3.177200      -1.635100      0.5309000    
 C    2.382000      -2.336200     -0.8967000    
 C   -3.340700     -0.1639000      -1.378600    
 C    2.894300      -1.861800       1.416400    
 C   -3.892100      -1.154900     -0.5664000    
 C    3.138400      -2.584800      0.2487000    
 H   0.8321000       1.018100      -2.447400    
 H   -1.364600      -1.504900       1.675700    
 H   0.7907000      -1.196500      -1.770700    
 H   -1.699000       1.119200      -1.753500    
 H    1.736700     -0.3478000       2.365900    
 H   0.8431000       4.864000      0.7311000    
 H    1.483700       3.270000      -3.217600    
 H    1.484200       5.191100      -1.651900    
 H   -3.893700      0.2149000      -2.233900    
 H    3.480700      -2.050700       2.311500    
 H   -4.672200      -2.607600       1.244200    
 H    3.512700      -3.396000      -2.031400    
 H   -5.234000      -2.524800     -0.4567000    
 H    3.950900      -4.168300     -0.4737000    


%chk=000068996-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068996

0 1
O -0.183517 0.935380 1.765596
O 0.062258 2.966114 2.897076
O -3.800985 -2.914324 0.674577
O 2.223521 -3.391253 -1.920313
O -5.322660 -1.465609 -1.011957
O 4.100611 -3.576468 0.008703
C -0.044420 0.420194 0.332528
C 0.443159 1.665094 -0.418659
C -1.427739 -0.079341 -0.088804
C 1.038794 -0.672987 0.332296
C 0.528159 2.756185 0.469107
C 0.129057 2.324779 1.833237
C 0.805636 1.817178 -1.769362
C -1.912557 -1.287274 0.481846
C 1.115333 -1.565731 -0.767259
C -2.268002 0.654624 -0.959195
C 2.005121 -0.744785 1.362094
C 0.962553 4.029740 0.049446
C 1.243374 3.091368 -2.204637
C 1.319449 4.190094 -1.307500
C -3.202623 -1.735850 0.173186
C 2.150764 -2.512579 -0.835488
C -3.566680 0.194899 -1.273516
C 3.044495 -1.702385 1.299955
C -4.042285 -1.001640 -0.710305
C 3.119598 -2.576273 0.202023
H 0.759937 0.975218 -2.467474
H -1.274158 -1.855283 1.169479
H 0.368594 -1.550707 -1.567044
H -1.918782 1.593162 -1.398900
H 1.932081 -0.072574 2.219802
H 1.017919 4.856400 0.765073
H 1.530868 3.232160 -3.252426
H 1.661731 5.163994 -1.673216
H -4.221478 0.753716 -1.947972
H 3.786064 -1.759635 2.106515
H -3.209929 -3.393013 1.303140
H 3.012941 -3.982675 -1.800763
H -5.482388 -2.311549 -0.515154
H 4.767484 -3.587667 0.735766


