%chk=000047095.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047095

0 1
 N  -0.2877000      -1.613700      4.3400001E-02
 N    4.483400     -0.3504000      7.1999999E-03
 C   -1.061600      0.4749000     -1.2500000E-02
 C   -1.422800     -0.8559000      1.9200001E-02
 C   -2.068900       1.572700     -5.9999999E-02
 C   -2.808300      -1.393000      5.5199999E-02
 C   -3.468600       1.061400      0.3335000    
 C   -3.804800     -0.2853000     -0.3346000    
 C   0.3607000      0.5291000     -1.5500000E-02
 C   0.8196000     -0.7923000      2.1199999E-02
 C    1.307300       1.573200     -4.7600001E-02
 C    2.180900      -1.117400      3.0300001E-02
 C    3.099300     -6.4199999E-02 -5.0000002E-04
 C    2.671500       1.261000     -3.9299998E-02
 H   -1.777900       2.392200      0.6065000    
 H   -2.103600       1.974000      -1.080200    
 H   -2.917700      -2.246400     -0.6226000    
 H   -3.029900      -1.742400       1.070600    
 H   -3.518800      0.9387000       1.423300    
 H   -4.219900       1.811300      6.1400000E-02
 H   -3.793600     -0.1519000      -1.424300    
 H   -4.819800     -0.5955000     -6.1700001E-02
 H  -0.2584000      -2.623700      7.5099997E-02
 H   0.9890000       2.611400     -7.7900000E-02
 H    2.505200      -2.153200      5.9500001E-02
 H    3.394700       2.073100     -6.3600004E-02
 H    4.801100      -1.310000      3.6800001E-02
 H    5.156100      0.4045000     -1.3400000E-02


%chk=000047095-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047095

0 1
N -0.277081 -1.652304 0.060706
N 4.537026 -0.344742 0.006438
C -1.084042 0.484300 -0.018196
C -1.446395 -0.859497 0.031187
C -2.103003 1.599630 -0.059279
C -2.849221 -1.402475 0.061028
C -3.503528 1.065169 0.348489
C -3.835695 -0.275530 -0.355502
C 0.367775 0.539319 -0.023366
C 0.848414 -0.819028 0.028799
C 1.326064 1.584125 -0.062845
C 2.219817 -1.148529 0.038926
C 3.158007 -0.083640 -0.001738
C 2.697533 1.275411 -0.051902
H -1.806850 2.427380 0.616069
H -2.156381 2.039189 -1.078182
H -2.961580 -2.271439 -0.620028
H -3.109128 -1.766013 1.078604
H -3.529265 0.910118 1.446014
H -4.278543 1.818343 0.107882
H -3.778384 -0.130269 -1.452534
H -4.871971 -0.584469 -0.119115
H -0.259648 -2.668940 0.095695
H 1.005873 2.631877 -0.103778
H 2.562088 -2.190076 0.077909
H 3.439685 2.083231 -0.082733
H 4.888347 -1.296174 0.042201
H 5.206587 0.417231 -0.021249


