%chk=000046830.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046830

0 1
 N   0.1997000      -1.460400      0.3103000    
 C   0.6264000       1.253800     -0.5658000    
 C  -0.8388000      0.8521000     -0.1810000    
 C    1.491000     -0.8873000     -0.1238000    
 C    1.317800      9.1700003E-02  -1.283100    
 C  -0.8085000     -0.4463000      0.7137000    
 C    1.553700       1.429400      0.6559000    
 C    2.098100      2.5500000E-02  0.9585000    
 C   -1.500400       2.016700      0.5990000    
 C   -1.679100      0.6779000      -1.468900    
 C   -2.200400      -1.045700      0.9813000    
 C  -0.2595000      -2.507400     -0.5961000    
 H   0.6248000       2.159400      -1.183000    
 H    2.199900      -1.687400     -0.3651000    
 H   0.7634000     -0.3168000      -2.130100    
 H    2.296700      0.4066000      -1.668500    
 H  -0.4790000     -0.1219000       1.711000    
 H    1.070900       1.874700       1.528200    
 H    2.391100       2.086500      0.3893000    
 H    3.191900      3.2600001E-02  0.8742000    
 H    1.862900     -0.3027000       1.976700    
 H   -2.574800       1.852100      0.7354000    
 H   -1.069900       2.146700       1.596300    
 H   -1.384600       2.963800      5.9599999E-02
 H   -2.743300      0.5525000      -1.240300    
 H   -1.594100       1.564400      -2.108500    
 H   -1.379000     -0.1830000      -2.067100    
 H   -2.864700     -0.3095000       1.444500    
 H   -2.684600      -1.405400      6.8300001E-02
 H   -2.129200      -1.887300       1.680000    
 H  -0.6065000      -2.126000      -1.558600    
 H   -1.063500      -3.099400     -0.1477000    
 H   0.5463000      -3.224000     -0.7949000    


%chk=000046830-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046830

0 1
N 0.184471 -1.470514 0.265715
C 0.623804 1.275660 -0.562755
C -0.854974 0.869925 -0.196924
C 1.502150 -0.897127 -0.134546
C 1.340047 0.115957 -1.307537
C -0.788307 -0.423050 0.722452
C 1.551433 1.443001 0.687833
C 2.096568 0.003955 0.988778
C -1.526410 2.032550 0.586292
C -1.679022 0.654274 -1.496183
C -2.164517 -1.034476 1.048544
C -0.281076 -2.529484 -0.648302
H 0.586875 2.208058 -1.160024
H 2.171505 -1.742242 -0.379650
H 0.780096 -0.294412 -2.164417
H 2.330760 0.446422 -1.678178
H -0.380432 -0.057432 1.689095
H 1.029307 1.883707 1.554510
H 2.382133 2.127335 0.432766
H 3.199915 -0.020676 0.934404
H 1.806234 -0.373416 1.984530
H -2.601920 1.838731 0.752534
H -1.060392 2.198261 1.574784
H -1.444528 2.977018 0.014201
H -2.748714 0.499277 -1.264703
H -1.607982 1.548406 -2.145970
H -1.337745 -0.213512 -2.084705
H -2.796812 -0.295722 1.570743
H -2.709838 -1.366574 0.147811
H -2.039002 -1.904052 1.718850
H -0.510390 -2.204999 -1.693162
H -1.184704 -3.014257 -0.243768
H 0.506166 -3.304693 -0.713316


