%chk=000095995.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095995

0 1
 O   -1.782000      0.5544000      -1.066000    
 O   -2.511300      -2.335800      0.9258000    
 O   -4.359500     -0.5890000     -5.6400001E-02
 O   -1.459300       3.167800     -9.9200003E-02
 O    4.209900      -1.231400      0.6763000    
 N  -9.7700000E-02  -1.071300     -0.6940000    
 N   0.4337000      -2.372400     -0.6505000    
 N    1.733000      -2.320400     -0.1744000    
 N    1.065900       1.064700     -0.3744000    
 N    3.361400      0.8999000      0.3468000    
 N    2.397800       2.973400     -4.3000001E-03
 C   -2.100900      -1.004000      0.6894000    
 C   -1.514900     -0.8117000     -0.7005000    
 C   -3.267300     -3.8699999E-02  0.6794000    
 C   -2.706300       1.130200     -0.1177000    
 C   -1.944800       2.133300      0.7383000    
 C   0.9035000     -0.2076000     -0.4075000    
 C    2.031700      -1.069100     -6.4800002E-02
 C    3.306200     -0.4729000      0.3557000    
 C    2.300900       1.600700     -2.0000001E-03
 H   -1.389200     -0.7159000       1.472900    
 H   -2.000800      -1.458400      -1.441100    
 H   -3.634200      0.2222000       1.675400    
 H   -3.477200       1.646200     -0.7013000    
 H   -1.088200       1.676700       1.241700    
 H   -2.604200       2.576000       1.491400    
 H   -1.729700      -2.904100      0.8172000    
 H   -4.081700     -0.7324000     -0.9764000    
 H   0.4356000      -2.776800      -1.586200    
 H  -0.9788000       3.794400      0.4682000    
 H    3.260200       3.440000      0.2543000    
 H    1.608300       3.555100     -0.2628000    


%chk=000095995-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000095995

0 1
O -2.277297 -0.819931 -1.137460
O -1.622239 -0.223578 2.340169
O -4.093815 -0.506878 1.228878
O -2.085878 1.134765 -2.915007
O 4.441617 1.005295 -1.103612
N 0.004835 -0.371354 -0.617160
N 0.269640 -0.015323 -1.949880
N 1.547891 0.424738 -2.088126
N 1.303702 -0.364652 1.433468
N 3.657334 0.353401 1.022882
N 2.909511 -0.252115 3.140359
C -1.757532 0.263782 0.987453
C -1.300964 -0.790870 -0.075207
C -3.246879 0.501307 0.618468
C -3.240270 0.297284 -0.915341
C -2.785745 1.565710 -1.684271
C 1.158601 -0.184784 0.105136
C 2.129065 0.289466 -0.854535
C 3.506812 0.586068 -0.362979
C 2.642951 -0.073177 1.803624
H -1.177396 1.197805 0.845266
H -1.199947 -1.799014 0.364074
H -3.577193 1.521095 0.906523
H -4.206171 -0.077865 -1.284058
H -2.096508 2.185305 -1.073988
H -3.674134 2.175026 -1.936498
H -0.636984 -0.380109 2.476919
H -3.675472 -0.758674 2.096751
H -0.539918 0.258983 -2.560060
H -2.106727 1.856076 -3.590522
H 3.853361 -0.058930 3.466473
H 2.195849 -0.615753 3.765560


