%chk=000059654.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059654

0 1
 O    1.798200      0.7382000     -0.8267000    
 N   -1.887100      -1.146000     -0.3260000    
 C   -1.347600     -0.4985000      0.8795000    
 C  -0.8450000      -1.956100     -0.9753000    
 C  -0.1411000      0.4089000      0.5756000    
 C   0.3874000      -1.124600      -1.377100    
 C   -1.043600      -1.600800       1.913100    
 C  -0.5133000      -3.137200     -4.2300001E-02
 C   0.9558000     -0.2601000     -0.2528000    
 C  -0.1647000      -2.736300       1.390500    
 C   -2.543300     -0.2132000      -1.236500    
 C   -3.703300      0.4880000     -0.5811000    
 C    3.116200      0.7116000     -0.4609000    
 C   -4.970100     -7.4400000E-02 -0.6519000    
 C   -3.489400       1.686900      8.4799998E-02
 C    3.463600      0.8578000      0.8785000    
 C    4.099000      0.5381000      -1.430500    
 C   -6.044800      0.5750000     -4.4599999E-02
 C   -4.564200       2.336200      0.6921000    
 C   -5.841900       1.780300      0.6274000    
 C    4.807200      0.8306000       1.252100    
 C    5.442600      0.5108000      -1.056800    
 C    5.796700      0.6571000      0.2846000    
 C    7.233000      0.6276000      0.6839000    
 H   -2.099800      0.1081000       1.389500    
 H   -1.254700      -2.401700      -1.891900    
 H  -0.4695000       1.310900      4.6799999E-02
 H   0.2882000      0.7813000       1.514100    
 H    1.177500      -1.783100      -1.760600    
 H   0.1278000     -0.4800000      -2.227700    
 H   -1.997700      -2.037500       2.240100    
 H  -0.5851000      -1.167000       2.809900    
 H   0.3011000      -3.738500     -0.4638000    
 H   -1.390300      -3.798300     -2.9000000E-03
 H    1.548100     -0.9071000      0.3992000    
 H   0.8911000      -2.465600       1.464700    
 H  -0.2743000      -3.609100       2.046500    
 H   -2.924700     -0.7597000      -2.109700    
 H   -1.854900      0.5360000      -1.646700    
 H   -5.139400      -1.013800      -1.170500    
 H   -2.511900       2.154500      0.1239000    
 H    2.706700       1.005300       1.643000    
 H    3.827400      0.4235000      -2.476100    
 H   -7.039700      0.1421000     -9.4700001E-02
 H   -4.407700       3.278100       1.209700    
 H   -6.679000       2.286700       1.099000    
 H    5.070800      0.9498000       2.299800    
 H    6.204500      0.3765000      -1.820100    
 H    7.816900     -1.1100000E-02  1.2500000E-02
 H    7.651000       1.638800      0.6576000    
 H    7.354000      0.2240000       1.694900    


%chk=000059654-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059654

0 1
O 2.081001 -0.176055 -1.213516
N -1.922790 -1.114091 -0.310970
C -1.149803 -0.640019 0.874274
C -1.158754 -2.180297 -1.019393
C 0.236834 -0.042118 0.457390
C 0.218685 -1.654213 -1.540188
C -1.075662 -1.801697 1.898299
C -1.075757 -3.419801 -0.090781
C 1.072121 -0.972886 -0.454058
C -0.482804 -3.105496 1.307500
C -2.451069 -0.039656 -1.183040
C -3.567815 0.762130 -0.515753
C 3.275105 0.208905 -0.579422
C -4.540614 0.114343 0.287521
C -3.673301 2.159544 -0.722484
C 3.642815 -0.114070 0.749782
C 4.164825 0.966303 -1.383906
C -5.600140 0.847757 0.864753
C -4.734906 2.897121 -0.148379
C -5.703075 2.242819 0.647203
C 4.894031 0.317828 1.251776
C 5.401650 1.388388 -0.864421
C 5.794949 1.073684 0.465828
C 7.131315 1.543538 1.015796
H -1.730365 0.178227 1.340855
H -1.750037 -2.474970 -1.909317
H 0.060105 0.891986 -0.110793
H 0.806011 0.243452 1.361215
H 0.794483 -2.473124 -2.010103
H 0.032732 -0.901038 -2.330388
H -2.110890 -1.998403 2.237336
H -0.493777 -1.482752 2.785391
H -0.489937 -4.218910 -0.585697
H -2.108508 -3.797856 0.035598
H 1.621578 -1.728988 0.136119
H 0.619052 -3.030668 1.245847
H -0.688755 -3.950182 1.992712
H -2.854547 -0.537388 -2.088900
H -1.669289 0.672182 -1.543891
H -4.438370 -0.963384 0.457724
H -2.920444 2.674170 -1.333432
H 2.980193 -0.692670 1.400091
H 3.866726 1.203424 -2.410137
H -6.345877 0.334711 1.483271
H -4.802400 3.978193 -0.316203
H -6.524802 2.812718 1.095752
H 5.167050 0.058183 2.282057
H 6.077781 1.971188 -1.502601
H 7.970929 1.220801 0.371652
H 7.177606 2.647850 1.079418
H 7.313608 1.144288 2.028710


