%chk=000088626.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088626

0 1
 O    3.334000      0.2028000     -0.2917000    
 N    1.138400      6.3900001E-02  0.5754000    
 N    1.635400      0.5756000      -1.728800    
 C  -0.2289000      0.1422000      0.2986000    
 C  -0.9483000     -0.9912000     -8.0399998E-02
 C  -0.8739000       1.374500      0.4050000    
 C   -2.312800     -0.8922000     -0.3527000    
 C  -0.2837000      -2.324000     -0.2026000    
 C    1.621900     -0.2234000       1.959200    
 C   -2.238500       1.473200      0.1328000    
 C   -2.957800      0.3400000     -0.2461000    
 C    2.114200      0.2585000     -0.4686000    
 H  -0.3245000       2.265200      0.6993000    
 H   -2.888900      -1.764900     -0.6489000    
 H   0.5294000      -2.286300     -0.9347000    
 H   0.1132000      -2.648000      0.7646000    
 H  -0.9834000      -3.096500     -0.5404000    
 H   0.9970000      -1.000300       2.407900    
 H    1.544100      0.6995000       2.540600    
 H    2.662900     -0.5546000       1.941700    
 H   -2.740700       2.432600      0.2156000    
 H   -4.020200      0.4171000     -0.4580000    
 H   0.6488000      0.6411000      -1.951400    
 H    2.278600      0.7416000      -2.496000    


%chk=000088626-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000088626

0 1
O 3.391871 -0.033187 -0.186833
N 1.169190 0.087988 0.572068
N 1.678261 0.290194 -1.730996
C -0.246006 0.170057 0.289565
C -0.957222 -0.982391 -0.163920
C -0.923405 1.395496 0.506495
C -2.349226 -0.852583 -0.404049
C -0.244315 -2.302498 -0.385841
C 1.594754 -0.032642 1.978145
C -2.311461 1.500669 0.269929
C -3.025017 0.370448 -0.190974
C 2.152851 0.105658 -0.433390
H -0.348014 2.260468 0.855611
H -2.909754 -1.727851 -0.753826
H 0.441614 -2.246948 -1.252185
H 0.377354 -2.575877 0.485690
H -0.965160 -3.117112 -0.569529
H 1.168051 -0.941143 2.444449
H 1.275766 0.847329 2.567731
H 2.694327 -0.100481 1.987252
H -2.828216 2.451639 0.438731
H -4.102203 0.439084 -0.379371
H 0.705686 0.509910 -1.936188
H 2.376574 0.330173 -2.468163


