%chk=000017705.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017705

1 1
 N   -3.347100      0.3632000     -0.4121000    
 N    3.605900      0.8598000     -6.7299999E-02
 C   -4.582200     -0.1664000     -0.3288000    
 C    4.740800     -1.0300000E-02 -0.1548000    
 C   -2.556900      0.6050000      0.6578000    
 C    2.305700      0.3378000      0.1025000    
 C   -2.792700      0.7123000      -1.733700    
 C   -5.101600     -0.4956000      0.9428000    
 C    3.897700       2.294600     -0.1626000    
 C    4.548400      -1.411900     -9.9600002E-02
 C   -3.037600      0.2914000       1.931400    
 C    2.156000      -1.116700      0.1439000    
 C   -4.307500     -0.2575000       2.072800    
 C    3.196900      -1.950700      4.8400000E-02
 C   -1.250300       1.172900      0.5017000    
 C    1.170400       1.052700      0.2331000    
 C   -5.340800     -0.3876000      -1.482600    
 C    6.065000      0.4509000     -0.2930000    
 C   -6.389800      -1.046700       1.026300    
 C  -0.1292000      0.4451000      0.3726000    
 C    5.633800      -2.297100     -0.1838000    
 C   -3.158100       2.143800      -2.072100    
 C    4.361600       2.855800       1.165600    
 C   -6.618600     -0.9360000      -1.380300    
 C    7.143500     -0.4364000     -0.3759000    
 C   -7.141800      -1.264600     -0.1301000    
 C    6.928400      -1.807900     -0.3220000    
 H   -1.707700      0.5863000      -1.750800    
 H   -3.110900      8.9999998E-04  -2.498200    
 H    4.616500       2.514000     -0.9611000    
 H    3.011300       2.854400     -0.4808000    
 H   -2.433500      0.4715000       2.817000    
 H    1.216900      -1.635600      0.2559000    
 H   -4.673300     -0.4977000       3.068200    
 H    3.057100      -3.025800      8.3600000E-02
 H   -1.208000       2.259100      0.5012000    
 H    1.190500       2.137700      0.2336000    
 H   -5.026300     -0.1319000      -2.486500    
 H    6.316500       1.505300     -0.3434000    
 H   -6.817900      -1.310000       1.990900    
 H  -0.2912000     -0.6227000      0.3819000    
 H    5.479400      -3.372800     -0.1415000    
 H   -2.770100       2.850900      -1.333100    
 H   -2.742900       2.416600      -3.047400    
 H   -4.242700       2.282000      -2.119100    
 H    4.570800       3.926100       1.069500    
 H    3.585000       2.735300       1.929000    
 H    5.265700       2.371900       1.544200    
 H   -7.212100      -1.101300      -2.275000    
 H    8.153300     -5.0200000E-02 -0.4830000    
 H   -8.138500      -1.689900     -5.5100001E-02
 H    7.766900      -2.494600     -0.3865000    


%chk=000017705-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000017705

1 1
N -3.588475 0.531900 -0.735887
N 3.798103 0.372024 -0.281419
C -4.908675 0.127274 -0.406885
C 5.050290 -0.131001 0.159999
C -2.454887 -0.087758 -0.184770
C 2.580027 -0.236469 0.066878
C -3.411491 1.649507 -1.713217
C -5.102845 -1.031857 0.424221
C 3.791613 1.591516 -1.147194
C 5.093923 -1.374081 0.884217
C -2.674842 -1.253365 0.641122
C 2.651075 -1.485542 0.791493
C -3.941210 -1.718917 0.924482
C 3.852852 -2.042772 1.172606
C -1.145394 0.433926 -0.425602
C 1.331356 0.368943 -0.280303
C -6.053348 0.832750 -0.876832
C 6.272080 0.556359 -0.093383
C -6.422901 -1.463070 0.741186
C 0.060705 -0.206604 -0.074407
C 6.346362 -1.904325 1.307309
C -3.377876 3.040414 -1.048401
C 3.722934 2.906004 -0.344140
C -7.343958 0.384694 -0.547193
C 7.492982 0.011035 0.339043
C -7.539733 -0.768901 0.258950
C 7.541269 -1.226047 1.036435
H -2.485198 1.457014 -2.278339
H -4.229041 1.586130 -2.448635
H 4.694355 1.562697 -1.777033
H 2.941956 1.507555 -1.843111
H -1.804372 -1.753341 1.067951
H 1.717248 -1.984765 1.052319
H -4.077919 -2.603248 1.555797
H 3.875304 -2.990997 1.719917
H -1.048563 1.414615 -0.901235
H 1.335435 1.369376 -0.721650
H -5.959646 1.737179 -1.480736
H 6.290703 1.519708 -0.605955
H -6.548152 -2.349652 1.372498
H 0.006280 -1.212206 0.359173
H 6.356662 -2.853972 1.853453
H -2.540030 3.131207 -0.335581
H -3.258177 3.820084 -1.821131
H -4.310507 3.247418 -0.496247
H 3.725197 3.766057 -1.036758
H 2.807071 2.960706 0.269388
H 4.587093 3.011706 0.333895
H -8.210465 0.942844 -0.916183
H 8.420161 0.557003 0.137157
H -8.551893 -1.103294 0.503683
H 8.501263 -1.636058 1.362758


