%chk=000048382.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048382

0 1
 N    3.547300      0.6866000     -0.6197000    
 N   -3.547200      0.6868000      0.6198000    
 C    1.064300     -0.3986000      0.6999000    
 C   -1.064400     -0.3991000     -0.6996000    
 C  -0.6915000      -2.189700       1.052100    
 C   0.6918000      -2.189500      -1.051900    
 C  -1.9999999E-04  0.4795000     -9.9999997E-05
 C   0.3575000      -1.299500       1.738800    
 C    1.738000      -1.299500     -0.3608000    
 C   -1.737900      -1.299900      0.3611000    
 C  -0.3575000      -1.299800      -1.738600    
 C   3.0000001E-04  -3.070800       0.000000    
 C    2.110400      0.4833000       1.387600    
 C   -2.110600      0.4826000      -1.387500    
 C    2.838100       1.428100      0.4231000    
 C   -2.838200       1.427800     -0.4235000    
 C    3.844500       2.287700       1.186800    
 C   -3.844800       2.287000      -1.187400    
 C    4.189600       1.598200      -1.553300    
 C   -4.189500       1.598900       1.553000    
 H   -1.179900      -2.826000       1.799200    
 H    1.180400      -2.825600      -1.799000    
 H  -0.4489000       1.130000      0.7584000    
 H   0.4485000       1.129900     -0.7587000    
 H  -0.1244000     -0.6857000       2.510800    
 H    1.092800      -1.930700       2.254600    
 H    2.526700      -1.918400      8.3999999E-02
 H    2.146600     -0.7601000      -1.210300    
 H   -2.526400      -1.918900     -8.3600000E-02
 H   -2.146700     -0.7605000       1.210500    
 H   0.1241000     -0.6860000      -2.510700    
 H   -1.092700      -1.931300      -2.254200    
 H   0.7369000      -3.724000      0.4838000    
 H  -0.7360000      -3.724300     -0.4837000    
 H    2.843600     -0.1510000       1.905200    
 H    1.622800       1.080600       2.170100    
 H   -2.843900     -0.1520000      -1.904900    
 H   -1.623100       1.079500      -2.170400    
 H    2.113000       2.114400     -2.6900001E-02
 H   -2.113200       2.114300      2.6100000E-02
 H    4.694700       1.698000       1.548800    
 H    3.368100       2.740500       2.064400    
 H    4.227800       3.119600      0.5874000    
 H   -4.228000       3.119300     -0.5882000    
 H   -4.695100       1.697300      -1.548900    
 H   -3.368600       2.739500      -2.065300    
 H    4.249700      7.5499997E-02 -0.2036000    
 H   -4.249700      7.5400002E-02  0.2041000    
 H    5.082900       2.072900      -1.136500    
 H    3.500900       2.366200      -1.921000    
 H    4.520300       1.025700      -2.426500    
 H   -4.519900       1.026900       2.426600    
 H   -5.082900       2.073200       1.136200    
 H   -3.500700       2.367100       1.920100    


%chk=000048382-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048382

0 1
N 3.416372 1.172605 -0.694058
N -3.413621 1.170793 0.693546
C 1.134692 -0.645019 0.610977
C -1.134274 -0.644617 -0.612274
C -0.606949 -2.460693 1.107696
C 0.605202 -2.462980 -1.106424
C 0.000653 0.228980 -0.001191
C 0.503724 -1.560338 1.706343
C 1.718261 -1.564035 -0.504870
C -1.718945 -1.561320 0.504841
C -0.504319 -1.562112 -1.706422
C -0.001457 -3.363035 0.001251
C 2.230324 0.227027 1.297078
C -2.229269 0.227604 -1.299094
C 2.743461 1.507070 0.587143
C -2.743076 1.506893 -0.588465
C 3.633364 2.322418 1.571779
C -3.635465 2.321231 -1.571728
C 3.817092 2.305030 -1.548099
C -3.814588 2.302095 1.548954
H -1.040736 -3.091941 1.909659
H 1.038250 -3.095885 -1.907480
H -0.423433 0.882303 0.788307
H 0.425411 0.880878 -0.791505
H 0.076861 -0.930816 2.514493
H 1.296830 -2.187550 2.165750
H 2.522939 -2.198398 -0.075564
H 2.175522 -0.930697 -1.287191
H -2.524336 -2.195344 0.076391
H -2.175548 -0.926351 1.286266
H -0.076622 -0.934160 -2.515354
H -1.298127 -2.188989 -2.165082
H 0.782475 -4.020866 0.429028
H -0.786215 -4.020484 -0.425607
H 3.105354 -0.422159 1.525851
H 1.833284 0.555086 2.281098
H -3.104152 -0.421609 -1.528323
H -1.831869 0.556027 -2.282848
H 1.870557 2.139311 0.324231
H -1.870661 2.140178 -0.326465
H 4.487045 1.710665 1.924048
H 3.053778 2.637767 2.459938
H 4.037533 3.234341 1.095120
H -4.040327 3.232454 -1.094318
H -4.488729 1.708342 -1.923036
H -3.057515 2.637652 -2.460572
H 4.180406 0.497912 -0.549866
H -4.176861 0.495027 0.550161
H 4.570741 2.999889 -1.105139
H 2.922155 2.905623 -1.798517
H 4.232717 1.919896 -2.497008
H -4.228151 1.915748 2.498269
H -4.569941 2.996145 1.107637
H -2.920116 2.903806 1.798347


