%chk=000086104.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086104

0 1
 O   -6.536400      -1.592900     -0.6351000    
 O   -6.136600      3.3700000E-02   1.584300    
 N   -3.501500      0.5271000     -0.7066000    
 N    5.997800       2.275100     -4.0600002E-02
 N    3.191700      -3.036500      0.3298000    
 N    7.332400      -1.462000      0.5134000    
 C   -5.812400     -0.3657000     -0.7611000    
 C   -4.319500     -0.6756000     -0.6287000    
 C   -2.091700      0.2114000     -0.5215000    
 C   -1.233400       1.475000     -0.5920000    
 C   -6.323400      0.6110000      0.2957000    
 C   0.2315000       1.159100     -0.4242000    
 C   0.9994000      0.8763000      -1.543600    
 C   0.7862000       1.155800      0.8466000    
 C    2.925100      0.5764000     -0.1158000    
 C    2.354400      0.5831000      -1.388500    
 C    2.141000      0.8627000       1.001800    
 C   -7.930700      -1.383000     -0.7830000    
 C    4.337800      0.2708000      4.5800000E-02
 C   -6.580300      0.9063000       2.613000    
 C    4.796300      -1.003000      0.2352000    
 C    5.267600       1.373900     -3.0000001E-04
 C    3.907700      -2.124000      0.2871000    
 C    6.197200      -1.254900      0.3885000    
 H   -5.995000      5.0400000E-02  -1.760900    
 H   -4.143300      -1.199900      0.3196000    
 H   -4.037400      -1.382800      -1.419800    
 H   -1.762600     -0.4991000      -1.290700    
 H   -1.942800     -0.2712000      0.4529000    
 H   -1.387300       1.987700      -1.551000    
 H   -1.545600       2.190300      0.1805000    
 H   -3.641300      0.9825000      -1.607900    
 H   -5.766200       1.553900      0.2389000    
 H   -7.379400      0.8647000      0.1559000    
 H   0.5635000      0.8771000      -2.538500    
 H   0.1833000       1.375300       1.723200    
 H    2.951300      0.3615000      -2.270100    
 H    2.570300      0.8611000       2.001000    
 H   -8.382100      -1.052200      0.1567000    
 H   -8.385000      -2.348200      -1.027900    
 H   -8.163100     -0.6907000      -1.599000    
 H   -7.650200       1.111000       2.508200    
 H   -6.013200       1.841900       2.594500    
 H   -6.412500      0.4164000       3.575900    


%chk=000086104-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086104

0 1
O -6.931371 -0.955014 -1.352102
O -5.910575 -0.745793 1.392390
N -3.631081 0.704601 -1.172909
N 5.599946 -0.380168 -2.249800
N 4.139974 -0.133104 3.657263
N 7.535010 -1.020333 1.072206
C -6.026867 0.105180 -0.894650
C -4.615598 -0.398261 -1.260161
C -2.220546 0.298296 -1.053828
C -1.329374 1.536981 -0.742160
C -6.137057 0.460851 0.596274
C 0.121112 1.155746 -0.534039
C 0.978342 0.900089 -1.638030
C 0.659317 1.001188 0.772225
C 2.855527 0.352703 -0.130866
C 2.312505 0.509306 -1.445682
C 1.992216 0.610194 0.978262
C -8.330882 -0.769799 -0.977378
C 4.265092 -0.056144 0.007185
C -5.933265 -0.466284 2.825199
C 5.002104 -0.300897 1.177925
C 5.003587 -0.236464 -1.223893
C 4.495269 -0.197807 2.515517
C 6.384370 -0.693268 1.105743
H -6.248605 1.044785 -1.460312
H -4.336991 -1.181746 -0.534105
H -4.671714 -0.872204 -2.265068
H -1.819689 -0.213781 -1.963404
H -2.142852 -0.426577 -0.221411
H -1.417338 2.252735 -1.584222
H -1.742378 2.030440 0.155230
H -3.764881 1.398723 -1.922027
H -5.356301 1.224706 0.807439
H -7.134407 0.894419 0.833273
H 0.595555 1.019562 -2.658064
H 0.020110 1.195459 1.640900
H 2.946192 0.324393 -2.319488
H 2.350999 0.514350 2.004118
H -8.480892 -0.894899 0.113331
H -8.886226 -1.557896 -1.510391
H -8.716005 0.225019 -1.291949
H -6.915000 -0.055307 3.146685
H -5.137439 0.253983 3.114056
H -5.758292 -1.428167 3.332420


