%chk=000059648.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059648

0 1
 N  -0.2158000     -0.4995000      4.8500001E-02
 C    1.487200      0.9415000      -1.112000    
 C    2.216700      -1.135500      1.7100001E-02
 C    2.423800     -0.2618000      -1.219900    
 C    1.889700       1.794200      0.1059000    
 C    2.643300     -0.3522000       1.272800    
 C   2.7799999E-02  0.4426000      -1.051500    
 C   0.7480000      -1.607600      6.2700003E-02
 C    1.973300       1.016000       1.421500    
 C   -1.589400     -0.9954000      2.4000000E-02
 C   -2.575200      0.1671000      0.1278000    
 C   -4.020900     -0.3285000      8.2300000E-02
 C   -5.008400      0.8192000      0.2208000    
 H    1.599000       1.559700      -2.011700    
 H    2.856700      -2.023200     -6.3500002E-02
 H    2.204800     -0.8335000      -2.130200    
 H    3.468000      6.5200001E-02  -1.292900    
 H  -0.5782000       1.347000     -0.9457000    
 H  -0.2285000     -1.9099999E-02  -2.014500    
 H   0.5686000      -2.273100     -0.7929000    
 H   0.6021000      -2.206900      0.9701000    
 H    1.198600       2.637300      0.2230000    
 H    2.876600       2.232100     -9.4300002E-02
 H    3.729400     -0.1970000       1.226800    
 H    2.456800     -0.9504000       2.172500    
 H    2.522300       1.611000       2.161400    
 H   0.9685000      0.8913000       1.840500    
 H   -1.753200      -1.668800      0.8746000    
 H   -1.783500      -1.572000     -0.8898000    
 H   -2.475600      0.8683000     -0.7057000    
 H   -2.401500      0.7260000       1.055900    
 H   -4.193200      -1.047500      0.8918000    
 H   -4.206900     -0.8528000     -0.8624000    
 H   -6.035100      0.4413000      0.1893000    
 H   -4.869000       1.344500       1.171100    
 H   -4.887700       1.541800     -0.5925000    


%chk=000059648-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059648

0 1
N -0.204087 -0.440134 -0.058810
C 1.617482 0.953150 -1.134169
C 2.227143 -1.153922 0.062733
C 2.523531 -0.298772 -1.193295
C 2.001694 1.813649 0.102568
C 2.633543 -0.360528 1.335663
C 0.135227 0.500361 -1.158420
C 0.739993 -1.586246 0.025804
C 1.949759 1.028307 1.440656
C -1.608922 -0.912099 -0.117508
C -2.657194 0.203016 0.074406
C -4.092630 -0.358344 0.197405
C -5.155365 0.751897 0.344150
H 1.774834 1.568233 -2.044184
H 2.829422 -2.085138 0.029982
H 2.317212 -0.881408 -2.114009
H 3.591182 -0.004411 -1.218480
H -0.519467 1.387105 -1.076389
H -0.070104 0.030994 -2.160655
H 0.607238 -2.281617 -0.848513
H 0.490109 -2.164021 0.937793
H 1.340803 2.701236 0.166574
H 3.031507 2.195700 -0.061951
H 3.736000 -0.228452 1.311446
H 2.405519 -0.955665 2.242634
H 2.435267 1.623168 2.240297
H 0.893354 0.880458 1.719944
H -1.738345 -1.659892 0.690883
H -1.817557 -1.446936 -1.084803
H -2.628074 0.913096 -0.775582
H -2.399082 0.780150 0.984485
H -4.145846 -1.040388 1.070526
H -4.323486 -0.975979 -0.694920
H -6.173175 0.329895 0.434123
H -4.962663 1.367500 1.242797
H -5.145721 1.427336 -0.532280


