%chk=000127898.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127898

0 1
 I   -7.093900      0.4540000      -1.040100    
 O  -0.7935000      -1.380100       1.409200    
 N    3.405100     -0.2043000     -3.5999998E-02
 N  -0.1991000      0.6201000      0.3958000    
 C    3.956700       1.151900      9.3500003E-02
 C    4.147000     -0.9864000      -1.034900    
 C    5.429700       1.111700      0.5035000    
 C    5.626100      -1.096300     -0.6620000    
 C    6.254100      0.2798000     -0.4721000    
 C    1.985000     -0.1481000     -0.3820000    
 C    1.202100      0.5627000      0.7120000    
 C   -1.095400     -0.3716000      0.7764000    
 C   -2.505300     -0.1777000      0.3496000    
 C   -3.306200      -1.286700      0.1728000    
 C   -2.968200       1.105400      0.1434000    
 C   -4.629800      -1.104500     -0.2282000    
 C   -4.291800       1.287500     -0.2574000    
 C   -5.122600      0.1826000     -0.4433000    
 H    3.462100       1.723900      0.8825000    
 H    3.847900       1.713100     -0.8438000    
 H    4.051700     -0.5370000      -2.032300    
 H    3.734700      -2.001100      -1.093900    
 H    5.520100      0.6875000       1.511800    
 H    5.830400       2.130800      0.5485000    
 H    6.165200      -1.643900      -1.443300    
 H    5.729300      -1.676000      0.2641000    
 H    6.306400      0.7948000      -1.439200    
 H    7.281300      0.1774000     -0.1053000    
 H    1.827400      0.3534000      -1.346400    
 H    1.590800      -1.167100     -0.4891000    
 H    1.333300      5.9300002E-02   1.676800    
 H    1.488200       1.610400      0.8290000    
 H  -0.4986000       1.389100     -0.1937000    
 H   -2.936500      -2.295400      0.3311000    
 H   -2.365400       1.991900      0.3104000    
 H   -5.259800      -1.979200     -0.3684000    
 H   -4.658200       2.299300     -0.4123000    


%chk=000127898-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127898

0 1
I -7.390532 0.460113 -0.797321
O -0.708791 -1.636123 0.844304
N 3.467584 -0.013419 -0.116502
N -0.241202 0.613643 0.493179
C 4.128063 1.313340 -0.197075
C 4.211982 -1.039576 -0.890645
C 5.570692 1.250890 0.346167
C 5.655578 -1.180983 -0.366219
C 6.391290 0.178560 -0.406952
C 2.025344 0.038009 -0.438646
C 1.191899 0.463849 0.798527
C -1.109896 -0.464826 0.548325
C -2.560687 -0.183714 0.237705
C -3.384133 -1.293597 -0.076548
C -3.141062 1.110452 0.274041
C -4.752158 -1.123417 -0.373813
C -4.510183 1.297944 -0.018360
C -5.304130 0.177395 -0.347747
H 3.539478 2.044287 0.388553
H 4.150218 1.683111 -1.258249
H 4.244467 -0.782076 -1.983089
H 3.677441 -2.002236 -0.792608
H 5.533335 0.999760 1.423638
H 6.045395 2.246471 0.247634
H 6.194788 -1.935478 -0.970965
H 5.617087 -1.549860 0.676953
H 6.524825 0.493128 -1.463142
H 7.402707 0.085698 0.032008
H 1.806472 0.727403 -1.293885
H 1.686447 -0.969887 -0.738162
H 1.299113 -0.312295 1.573297
H 1.565853 1.419558 1.208272
H -0.571138 1.506541 0.126498
H -2.930401 -2.289923 -0.072804
H -2.552851 1.988230 0.567031
H -5.374502 -1.988812 -0.618072
H -4.948096 2.299041 0.021369


