%chk=000096803.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096803

0 1
 O    5.829200      0.7307000       1.247400    
 O    6.006900     -0.5288000     -0.6327000    
 O   -1.192400       3.122400     -0.2002000    
 O   0.7433000       2.099000     -0.3582000    
 O   -5.211000      -1.564900      0.3261000    
 O   -5.260000      0.6290000      0.2653000    
 N   0.9651000     -0.3780000     -0.3080000    
 N  -0.5039000       2.075800     -0.2372000    
 N   -4.630400     -0.4561000      0.2365000    
 C    1.765400      -1.578500     -0.3495000    
 C    3.237500      -1.240600     -0.5849000    
 C  -0.4144000     -0.3769000     -0.1744000    
 C    3.866600     -0.3921000      0.5235000    
 C   -1.161100      0.8175000     -0.1380000    
 C   -1.109700      -1.597200     -7.0500001E-02
 C   -2.549100      0.7917000     -2.9000000E-03
 C   -3.217500     -0.4284000      9.8499998E-02
 C   -2.497700      -1.622900      6.4700000E-02
 C    5.333400     -0.1016000      0.2945000    
 H    1.670800      -2.134400      0.5909000    
 H    1.434600      -2.227700      -1.169100    
 H    3.344200     -0.7153000      -1.543000    
 H    3.799900      -2.177700     -0.6836000    
 H    1.433500      0.4985000     -0.4916000    
 H    3.775600     -0.9162000       1.481600    
 H    3.352000      0.5715000      0.6003000    
 H  -0.5940000      -2.553500     -8.9199997E-02
 H   -3.114400       1.720400      2.4200000E-02
 H   -2.985100      -2.591500      0.1416000    
 H    6.777700      0.9321000       1.098900    


%chk=000096803-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096803

0 1
O 5.828060 0.625233 1.460641
O 6.098342 -0.569041 -0.514297
O -1.321175 3.197513 -0.346018
O 0.722013 2.224564 -0.590281
O -5.225129 -1.628660 0.545408
O -5.313142 0.651140 0.400571
N 0.959828 -0.380596 -0.446723
N -0.576127 2.149341 -0.391361
N -4.670104 -0.469669 0.384054
C 1.813898 -1.579421 -0.483575
C 3.293311 -1.191106 -0.658939
C -0.390655 -0.388815 -0.248249
C 3.861783 -0.404249 0.539649
C -1.181422 0.829309 -0.216042
C -1.105487 -1.624822 -0.057827
C -2.576316 0.798141 -0.009797
C -3.214525 -0.434791 0.168917
C -2.481596 -1.653786 0.145598
C 5.352491 -0.153657 0.398687
H 1.684899 -2.159969 0.453405
H 1.504090 -2.235935 -1.322349
H 3.422970 -0.606545 -1.589124
H 3.882698 -2.114698 -0.798061
H 1.365743 0.558891 -0.598105
H 3.701438 -0.954743 1.487804
H 3.365911 0.575423 0.677191
H -0.549422 -2.564838 -0.079211
H -3.144972 1.731437 0.009818
H -3.018798 -2.595368 0.287388
H 6.806391 0.776017 1.351830


