%chk=000029518.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029518

0 1
 N   -5.630400     -0.9099000     -0.3441000    
 N    5.654600     -0.2239000     -0.1800000    
 C   -2.319700      0.7846000     -0.3235000    
 C   -3.135300     -0.4808000      7.8999996E-03
 C  -0.8975000      0.7532000      0.2447000    
 C  -0.1472000     -0.4976000     -0.2995000    
 C    1.317000     -0.5955000      0.2905000    
 C   -2.430300      -1.676900     -0.6456000    
 C  -0.9758000      -1.804900     -0.1604000    
 C   -4.478400     -7.5300001E-02 -0.6461000    
 C   -3.247500       1.932700      7.2300002E-02
 C   -4.664300       1.395600     -0.2141000    
 C  -0.1344000       2.032100     -0.1308000    
 C    2.009900      0.7739000      0.2611000    
 C    2.128800      -1.596300     -0.5841000    
 C   -3.306700     -0.7362000       1.528000    
 C    1.344600       1.924600      5.8800001E-02
 C    1.300200      -1.092100       1.756300    
 C    3.510000      0.7955000      0.4674000    
 C    3.635300      -1.598600     -0.3124000    
 C    4.219500     -0.1926000     -0.4631000    
 C    6.247600       1.088400     -0.3833000    
 H   -2.215100      0.8461000      -1.420200    
 H  -0.9462000      0.7042000       1.338500    
 H  -4.3699998E-02 -0.3352000      -1.384900    
 H   -2.426100      -1.562900      -1.737300    
 H   -2.970400      -2.607500     -0.4342000    
 H  -0.9902000      -2.142500      0.8797000    
 H  -0.4986000      -2.606900     -0.7348000    
 H   -4.359800     -8.8100001E-02  -1.738400    
 H   -3.042100       2.839000     -0.5066000    
 H   -3.143600       2.186200       1.133200    
 H   -5.280400       1.487800      0.6883000    
 H   -5.158500       1.972900      -1.003400    
 H  -0.5077000       2.863500      0.4793000    
 H  -0.3203000       2.300100      -1.178300    
 H    1.979600      -1.360200      -1.646700    
 H    1.755500      -2.617400     -0.4409000    
 H   -2.351700     -0.8385000       2.050000    
 H   -3.853900      6.7000002E-02   2.030900    
 H   -3.862700      -1.664600       1.702600    
 H    1.891400       2.864100      2.8000001E-02
 H    2.294400      -1.070900       2.215100    
 H   0.6497000     -0.4771000       2.386600    
 H   0.9561000      -2.128800       1.828500    
 H    3.874400       1.815400      0.2986000    
 H    3.727500      0.5609000       1.517200    
 H    3.831100      -1.994900      0.6918000    
 H    4.122100      -2.284100      -1.017700    
 H    4.069700      0.1195000      -1.506300    
 H   -5.853200     -0.8575000      0.6486000    
 H   -5.405500      -1.885600     -0.5333000    
 H    5.820800     -0.5297000      0.7782000    
 H    7.337400      0.9800000     -0.3950000    
 H    6.014500       1.786700      0.4260000    
 H    5.962700       1.528600      -1.344800    


%chk=000029518-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029518

0 1
N -5.727686 -0.933858 -0.370829
N 5.737965 -0.221179 -0.196685
C -2.355940 0.789154 -0.280355
C -3.160775 -0.507917 0.013055
C -0.917946 0.784184 0.275235
C -0.144586 -0.459012 -0.273589
C 1.311894 -0.567272 0.323545
C -2.414979 -1.682859 -0.657476
C -0.955544 -1.783016 -0.137916
C -4.538869 -0.119784 -0.650063
C -3.323273 1.935859 0.121280
C -4.745017 1.370370 -0.213846
C -0.169217 2.078330 -0.119337
C 2.004138 0.811570 0.294539
C 2.145297 -1.550671 -0.571135
C -3.368326 -0.776163 1.525085
C 1.326860 1.972961 0.077718
C 1.289780 -1.089785 1.794489
C 3.511754 0.827132 0.518858
C 3.662153 -1.564761 -0.280032
C 4.277415 -0.158151 -0.423111
C 6.510111 0.996558 -0.505912
H -2.254521 0.832500 -1.391526
H -0.952960 0.732599 1.383746
H -0.016692 -0.269878 -1.365205
H -2.406921 -1.523252 -1.757102
H -2.935618 -2.645947 -0.474571
H -0.980756 -2.099099 0.921446
H -0.434184 -2.590104 -0.687727
H -4.380360 -0.149491 -1.749134
H -3.107855 2.871677 -0.424408
H -3.229025 2.163971 1.200672
H -5.410448 1.408803 0.670131
H -5.251108 1.940856 -1.011472
H -0.562280 2.935249 0.464583
H -0.389195 2.319492 -1.184212
H 1.996419 -1.263214 -1.633165
H 1.742836 -2.575686 -0.458286
H -2.413115 -0.892549 2.064415
H -3.924885 0.042858 2.016893
H -3.946009 -1.709098 1.669246
H 1.896481 2.914674 0.046165
H 2.282786 -1.004994 2.268775
H 0.581879 -0.506777 2.411144
H 0.994974 -2.154204 1.839549
H 3.892439 1.857585 0.388659
H 3.751166 0.527800 1.563106
H 3.854427 -1.942532 0.746538
H 4.177471 -2.254161 -0.974399
H 4.127393 0.181917 -1.469739
H -6.052004 -0.895663 0.600220
H -5.702086 -1.888295 -0.741003
H 5.956936 -0.598519 0.735775
H 7.588505 0.789726 -0.380149
H 6.261434 1.893141 0.111353
H 6.346868 1.268525 -1.565538


