%chk=000087032.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087032

0 1
 O    3.436700      -1.327900      0.1638000    
 N    2.647200      0.8565000      0.2996000    
 N    4.850600      0.4387000     -0.2240000    
 C   -1.035100      0.1033000     -0.2732000    
 C   0.3948000      0.3963000     -0.6001000    
 C   -1.940100       1.150800     -0.1009000    
 C   -1.463700      -1.217600     -0.1404000    
 C    1.282400      0.5541000      0.6385000    
 C   -3.273500      0.8776000      0.2042000    
 C   -2.797200      -1.490700      0.1647000    
 C   -1.506600       2.573800     -0.2376000    
 C  -0.5149000      -2.357400     -0.3197000    
 C   -3.702000     -0.4431000      0.3370000    
 C    3.621500     -0.1144000      8.8000000E-02
 H   0.4767000       1.296000      -1.222500    
 H   0.8123000     -0.3804000      -1.252800    
 H   0.9257000       1.371200       1.273900    
 H    1.266100     -0.3558000       1.247800    
 H   -3.992100       1.681400      0.3410000    
 H   -3.148500      -2.513600      0.2709000    
 H  -0.6722000       2.805200      0.4301000    
 H   -1.225600       2.794500      -1.272500    
 H   -2.315600       3.264600      2.6799999E-02
 H  -0.1753000      -2.417900      -1.358700    
 H   0.3472000      -2.270500      0.3472000    
 H  -0.9930000      -3.315400     -8.4700003E-02
 H   -4.740300     -0.6559000      0.5741000    
 H    2.910500       1.831800      0.1979000    
 H    4.983800       1.442600     -0.2819000    
 H    5.659200     -0.1466000     -0.4051000    


%chk=000087032-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000087032

0 1
O 3.107355 -1.380019 0.190753
N 2.703158 0.919174 0.339325
N 4.867631 0.114062 -0.147932
C -1.026657 0.178844 -0.321211
C 0.405581 0.561811 -0.670365
C -2.014078 1.188913 -0.105254
C -1.367825 -1.200030 -0.153779
C 1.272819 0.724316 0.616281
C -3.325261 0.811092 0.276916
C -2.688145 -1.542448 0.232763
C -1.694922 2.665983 -0.293498
C -0.357288 -2.308630 -0.413626
C -3.664642 -0.547585 0.449346
C 3.531164 -0.182520 0.130100
H 0.438294 1.503555 -1.248929
H 0.880736 -0.219632 -1.288104
H 0.909110 1.575529 1.220803
H 1.174802 -0.187147 1.229555
H -4.081604 1.588497 0.440117
H -2.948218 -2.600120 0.361358
H -0.851047 2.997338 0.341097
H -1.420306 2.894643 -1.341600
H -2.568232 3.289284 -0.035692
H -0.151408 -2.411392 -1.497835
H 0.620141 -2.134398 0.071242
H -0.747645 -3.278779 -0.060828
H -4.681036 -0.828021 0.748619
H 3.048776 1.864132 0.172484
H 5.260753 1.051655 -0.107960
H 5.486996 -0.676906 -0.302747


