%chk=000078785.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078785

0 1
 O  -0.9127000     -0.5775000      0.2538000    
 O    1.324000      -1.262300      0.5646000    
 O   -5.244400       1.439700     -6.0699999E-02
 O   -3.242800     -0.1316000      -2.331200    
 O    5.285000       1.367100      1.2100000E-02
 O    3.829900      -1.067000      -1.882200    
 O   -4.474300      0.6868000       1.851900    
 O   -4.000600      -1.538500     -0.8262000    
 O    3.612000       2.071600       1.246100    
 O    2.612800      0.7596000      -1.856900    
 N   -4.369500      0.9068000      0.6380000    
 N   -3.464900     -0.4734000      -1.160400    
 N    4.160600       1.234000      0.5177000    
 N    3.265700     -0.1311000      -1.296900    
 C   -3.066400      0.5076000     -5.6499999E-02
 C    3.411000     -6.6600002E-02  0.2242000    
 C   -2.124300     -0.2202000      0.9120000    
 C    2.004600     -4.4500001E-02  0.8380000    
 C  -3.5000001E-03  -1.276100       1.105600    
 C   -2.442700       1.777500     -0.6421000    
 C    4.264400      -1.224600      0.7492000    
 C  -0.4240000      -2.737300       1.199800    
 H   -2.605600      -1.112800       1.327300    
 H   -1.874500      0.4411000       1.752300    
 H    2.079000      7.3100001E-02   1.927100    
 H    1.409800      0.7947000      0.4541000    
 H   8.7000001E-03 -0.8359000       2.111200    
 H   -2.195200       2.490200      0.1538000    
 H   -1.516400       1.560100      -1.186500    
 H   -3.113800       2.294500      -1.338500    
 H    4.394100      -1.149100       1.835500    
 H    3.801300      -2.196200      0.5413000    
 H    5.267900      -1.243200      0.3068000    
 H  -0.5153000      -3.174800      0.1990000    
 H   -1.388400      -2.860700       1.699200    
 H   0.3250000      -3.321600       1.744600    


%chk=000078785-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000078785

0 1
O -0.667886 -0.569899 0.547809
O 1.379495 -1.515381 1.184775
O -4.804423 1.501023 -0.716637
O -2.651131 -0.615609 -2.347624
O 4.692994 1.675364 -0.261517
O 2.371056 -0.458120 -1.955173
O -4.303923 1.156811 1.485109
O -3.558234 -1.660806 -0.535093
O 3.646500 1.905729 1.755049
O 1.508216 1.368940 -0.898322
N -4.037356 1.112606 0.230722
N -2.972276 -0.677234 -1.118819
N 3.863573 1.308333 0.641481
N 2.252334 0.324062 -0.959155
C -2.629459 0.561954 -0.189523
C 3.063660 -0.010301 0.356027
C -1.915610 0.010350 1.053392
C 2.044552 -0.240036 1.487083
C -0.036671 -1.542468 1.474426
C -1.879938 1.629951 -0.969800
C 4.037595 -1.152487 0.110207
C -0.525669 -2.959872 1.215127
H -2.557687 -0.748001 1.537203
H -1.720215 0.834913 1.766105
H 2.580041 -0.311123 2.450649
H 1.326483 0.597385 1.511357
H -0.231031 -1.201724 2.518332
H -1.739748 2.519255 -0.330410
H -0.886841 1.248977 -1.254771
H -2.438361 1.915307 -1.873681
H 4.644029 -1.319144 1.017412
H 3.464357 -2.066750 -0.105247
H 4.702132 -0.924750 -0.736703
H -0.254691 -3.259961 0.189807
H -1.623161 -3.015404 1.316658
H -0.066209 -3.662486 1.930844


