%chk=000095442.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095442

0 1
 O    3.658100      0.2626000     -0.1487000    
 O    2.961900     -0.5481000       1.889500    
 N   -2.774000      -1.839100     -0.5313000    
 N    1.122000      0.3986000      -2.409600    
 C   -1.987800      5.9099998E-02  0.3382000    
 C   -3.118700     -0.5438000     -0.2169000    
 C  -0.9543000     -0.9190000      0.3456000    
 C   -1.468200      -2.075200     -0.1950000    
 C   -2.070100       1.403600      0.7516000    
 C   -4.332500      0.1334000     -0.3800000    
 C   0.3712000     -0.7777000      0.8120000    
 C   -3.277800       2.093500      0.5948000    
 C   -4.390300       1.466200      3.7400000E-02
 C    1.406700     -0.3256000      5.9799999E-02
 C    2.740400     -0.2293000      0.7297000    
 C    4.988600      0.4072000      0.3597000    
 C    5.876900      0.9608000     -0.7340000    
 C    1.247900      7.2600000E-02  -1.302900    
 H   -3.395900      -2.516900     -0.9500000    
 H   -1.026300      -3.046400     -0.3727000    
 H   -1.212500       1.908000       1.187800    
 H   -5.199000     -0.3540000     -0.8139000    
 H   0.5384000      -1.063000       1.848000    
 H   -3.347000       3.130700      0.9118000    
 H   -5.318300       2.020900     -7.5099997E-02
 H    4.980400       1.094200       1.213300    
 H    5.364100     -0.5701000      0.6825000    
 H    6.903800       1.084400     -0.3789000    
 H    5.880600      0.2934000      -1.602100    
 H    5.503200       1.930100      -1.080100    


%chk=000095442-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000095442

0 1
O 3.966057 0.053076 -0.197467
O 2.732677 1.393615 1.267652
N -2.692490 -1.216068 -1.321846
N 1.883822 -1.886115 -2.197151
C -2.231430 0.316044 0.307339
C -3.293707 -0.358966 -0.378264
C -0.966599 -0.166783 -0.258224
C -1.315224 -1.108685 -1.257114
C -2.555560 1.249047 1.322835
C -4.655800 -0.137400 -0.089167
C 0.333749 0.272280 0.163018
C -3.913630 1.479997 1.622175
C -4.951985 0.795986 0.925645
C 1.594334 -0.105155 -0.285921
C 2.779150 0.532546 0.351287
C 5.228468 0.623322 0.365571
C 6.378626 -0.052749 -0.372606
C 1.787276 -1.071123 -1.323591
H -3.196665 -1.829640 -1.960362
H -0.670318 -1.693859 -1.908954
H -1.772184 1.784820 1.869711
H -5.454397 -0.662434 -0.624203
H 0.359376 1.024099 0.965253
H -4.179929 2.198352 2.404821
H -5.996959 0.999028 1.183229
H 5.210365 1.718159 0.215676
H 5.243404 0.424466 1.452584
H 7.343112 0.334019 0.004165
H 6.356308 -1.144996 -0.219411
H 6.321655 0.146218 -1.456178


