%chk=000096423.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096423

0 1
 O   -1.172400      -2.036800      -1.677400    
 N    1.310400     -0.5278000      0.8645000    
 N   -2.796600      -2.488800     -0.1116000    
 C   -1.557300     -0.4137000      5.6100000E-02
 C  -0.4271000      0.3699000     -0.6593000    
 C   -1.068700     -0.7596000       1.486100    
 C   0.9499000     -0.2939000     -0.5366000    
 C   0.3256000      -1.396400       1.516000    
 C   -2.871000      0.3848000      1.7400000E-02
 C   -1.803100      -1.720800     -0.6715000    
 C    2.649300      -1.108800      0.9596000    
 C   -3.428700      0.7412000      -1.207600    
 C   -3.496500      0.7471000       1.207600    
 C    3.696100     -0.2064000      0.3623000    
 C   -4.620400       1.465400      -1.242900    
 C   -4.688200       1.471100       1.172200    
 C   -5.250000       1.830200     -5.3100001E-02
 C    4.016400     -0.3280000     -0.9827000    
 C    4.325700      0.7347000       1.165000    
 C    4.986000      0.5081000      -1.536200    
 C    5.295300       1.570900      0.6114000    
 C    5.625300       1.457600     -0.7393000    
 H  -0.3666000       1.381300     -0.2316000    
 H  -0.6464000      0.5081000      -1.726100    
 H   -1.761600      -1.421600       2.019400    
 H  -0.9992000      0.1609000       2.083400    
 H    1.004900      -1.217100      -1.123600    
 H    1.624700      0.4285000      -1.004300    
 H   0.6040000      -1.544500       2.566900    
 H   0.2993000      -2.389300       1.048800    
 H    2.694200      -2.094700      0.4756000    
 H    2.905300      -1.285700       2.013000    
 H   -2.959300      0.4631000      -2.146800    
 H   -3.112400      0.4868000       2.186800    
 H   -3.047600      -3.383600     -0.5189000    
 H   -3.327100      -2.205400      0.7054000    
 H   -5.058800       1.743700      -2.196800    
 H   -5.180800       1.753500       2.098100    
 H   -6.178400       2.393200     -8.0499999E-02
 H    3.539200      -1.073100      -1.613100    
 H    4.074900      0.8330000       2.217400    
 H    5.245700      0.4175000      -2.586800    
 H    5.792900       2.310600       1.231600    
 H    6.380700       2.108200      -1.170100    


%chk=000096423-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096423

0 1
O -1.564402 -2.062444 -1.860883
N 1.317452 -0.684349 0.568620
N -2.905951 -2.581576 -0.054495
C -1.621819 -0.447746 0.049670
C -0.542872 0.337065 -0.761613
C -0.999827 -0.796913 1.435285
C 0.828804 -0.365072 -0.800174
C 0.345279 -1.533655 1.294452
C -2.906242 0.408856 0.162391
C -2.009255 -1.758238 -0.714182
C 2.679378 -1.266518 0.556918
C -3.619536 0.731987 -1.025047
C -3.402730 0.901973 1.395601
C 3.761964 -0.257742 0.180489
C -4.786000 1.522230 -0.982097
C -4.572990 1.696661 1.441562
C -5.269508 2.011782 0.254830
C 4.887652 -0.660168 -0.579044
C 3.684794 1.084764 0.630455
C 5.924205 0.255132 -0.875607
C 4.715561 2.002552 0.332237
C 5.841997 1.590668 -0.419498
H -0.431496 1.333120 -0.292603
H -0.889899 0.483053 -1.799147
H -1.690874 -1.403607 2.051831
H -0.804128 0.147339 1.977986
H 0.751610 -1.285471 -1.425162
H 1.563291 0.306894 -1.279372
H 0.750072 -1.747015 2.302121
H 0.186968 -2.520450 0.785482
H 2.752066 -2.152948 -0.124405
H 2.881680 -1.640974 1.581695
H -3.261617 0.349339 -1.988912
H -2.880932 0.678757 2.331396
H -3.221585 -3.428711 -0.526381
H -3.359972 -2.296582 0.811874
H -5.318952 1.755855 -1.910738
H -4.936411 2.070134 2.405952
H -6.174870 2.627856 0.290803
H 4.952297 -1.693503 -0.943536
H 2.800967 1.391018 1.201258
H 6.788437 -0.071164 -1.465670
H 4.642759 3.038276 0.684379
H 6.642234 2.302934 -0.650922


