%chk=000004543.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004543

0 1
 N    4.568500      -1.643800     -0.2304000    
 C   -2.195400      0.9950000      -1.528200    
 C  -0.7459000       1.340500      -1.872100    
 C   -2.476100     -0.1934000     -0.6255000    
 C   4.1000000E-03   1.868900     -0.6762000    
 C  -0.1303000     -0.3940000      0.3535000    
 C   -1.547300     -0.8273000      0.2294000    
 C   0.2967000       1.020100      0.4042000    
 C   0.8501000      -1.317900      0.3245000    
 C   -3.810900     -0.6570000     -0.6357000    
 C   0.4101000       3.210100     -0.6275000    
 C   -1.993600      -1.889600       1.046700    
 C   0.9832000       1.525300       1.519100    
 C    2.304000     -0.9888000      0.4409000    
 C   -4.225000      -1.718500      0.1662000    
 C    1.096000       3.702300      0.4828000    
 C    3.155800      -1.990400     -0.3379000    
 C   -3.314700      -2.334500       1.010500    
 C    1.381200       2.861300       1.555200    
 C    5.389400      -2.568400     -0.9994000    
 H   -2.703800      0.8074000      -2.484200    
 H   -2.679000       1.873000      -1.078400    
 H  -0.7488000       2.100800      -2.663700    
 H  -0.2191000      0.4750000      -2.293200    
 H   0.6022000      -2.375300      0.2549000    
 H   -4.546600     -0.1782000      -1.279700    
 H   0.1919000       3.882400      -1.453400    
 H   -1.313600      -2.381300       1.740400    
 H    1.199800      0.8925000       2.376600    
 H    2.591300      -1.026700       1.499200    
 H    2.552600      3.7000000E-03  5.1800001E-02
 H    2.987500      -3.003200      5.0099999E-02
 H    2.849800      -1.981900      -1.391900    
 H   -5.257100      -2.054000      0.1358000    
 H    1.404800       4.743200      0.5119000    
 H   -3.629800      -3.155000       1.648300    
 H    1.909900       3.246800       2.422100    
 H    4.854000      -1.669500      0.7481000    
 H    5.286200      -3.596000     -0.6358000    
 H    6.442000      -2.283500     -0.9074000    
 H    5.132700      -2.536900      -2.063300    


%chk=000004543-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004543

0 1
N 4.624101 -1.872058 -0.197083
C -2.143037 0.933901 -1.657346
C -0.658431 1.283789 -1.924434
C -2.451704 -0.175207 -0.644840
C 0.005278 1.901461 -0.708482
C -0.066341 -0.385040 0.374246
C -1.516338 -0.775345 0.257303
C 0.277316 1.075151 0.418711
C 0.891353 -1.358319 0.496811
C -3.795437 -0.638884 -0.637163
C 0.333819 3.276789 -0.656557
C -1.983694 -1.804735 1.129362
C 0.869003 1.646841 1.573242
C 2.385706 -1.171192 0.632161
C -4.238935 -1.660742 0.224282
C 0.921756 3.841678 0.498588
C 3.170345 -2.016750 -0.401055
C -3.318301 -2.251897 1.119047
C 1.188804 3.022225 1.618658
C 5.459258 -2.603697 -1.166045
H -2.612716 0.649299 -2.620149
H -2.660932 1.858984 -1.328633
H -0.615281 1.987952 -2.776183
H -0.117681 0.367000 -2.230644
H 0.556311 -2.406400 0.443969
H -4.506690 -0.181473 -1.337425
H 0.131715 3.908172 -1.530753
H -1.278876 -2.233138 1.850413
H 1.064091 1.008432 2.442560
H 2.706183 -1.488844 1.650577
H 2.676521 -0.112657 0.524932
H 2.825632 -3.083051 -0.344790
H 2.928061 -1.661177 -1.421851
H -5.284461 -1.987663 0.201562
H 1.170335 4.908687 0.523740
H -3.639316 -3.039316 1.810018
H 1.641747 3.449639 2.520208
H 4.889966 -2.072062 0.776555
H 5.252611 -3.701990 -1.219271
H 6.526633 -2.466551 -0.917239
H 5.298426 -2.188612 -2.178701


