%chk=000040489.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040489

0 1
 N   -3.957200       1.849200     -4.6000001E-03
 N    3.957100       1.849400      4.6999999E-03
 C   -1.212600     -0.7737000      0.3901000    
 C    1.212500     -0.7736000     -0.3903000    
 C  -0.3854000      -2.564600      -1.198400    
 C   0.3859000      -2.564300       1.198600    
 C    0.000000      0.1046000     -9.9999997E-05
 C   -1.578400      -1.674700     -0.8121000    
 C  -0.8088000      -1.674500       1.580000    
 C   0.8087000      -1.674600      -1.580100    
 C    1.578600      -1.674300      0.8119000    
 C   3.0000001E-04  -3.445600      3.0000001E-04
 C   -2.404400      0.1080000      0.7736000    
 C    2.404300      0.1082000     -0.7738000    
 C   -2.854200       1.004000     -0.3695000    
 C    2.854200       1.004000      0.3695000    
 C   -4.380200       2.696100      -1.131400    
 C   -3.623300       2.699900       1.148800    
 C    4.380100       2.696100       1.131600    
 C    3.622900       2.700300      -1.148600    
 H  -0.6586000      -3.199500      -2.048800    
 H   0.6591000      -3.198700       2.049200    
 H  -0.2255000      0.7546000     -0.8516000    
 H   0.2253000      0.7546000      0.8515000    
 H   -1.843800      -1.086900      -1.697100    
 H   -2.446400      -2.301300     -0.5702000    
 H   -1.654700      -2.305200       1.882700    
 H  -0.5471000      -1.060600       2.451500    
 H    1.654800      -2.305000      -1.882900    
 H   0.5469000      -1.060800      -2.451600    
 H    1.843900      -1.086500       1.696800    
 H    2.446600      -2.300800      0.5700000    
 H  -0.8383000      -4.099100      0.2701000    
 H   0.8390000      -4.099100     -0.2694000    
 H   -2.100900      0.6976000       1.646000    
 H   -3.244100     -0.5216000       1.097500    
 H    2.100700      0.6981000      -1.646000    
 H    3.244000     -0.5212000      -1.098000    
 H   -2.032900       1.630100     -0.7303000    
 H   -3.183500      0.3864000      -1.210400    
 H    2.032800       1.629900      0.7307000    
 H    3.183800      0.3863000       1.210200    
 H   -4.664200       2.077900      -1.990300    
 H   -3.589500       3.386400      -1.447100    
 H   -5.266000       3.281400     -0.8609000    
 H   -3.567000       2.121200       2.075700    
 H   -4.418300       3.435300       1.322800    
 H   -2.685700       3.248800       1.003700    
 H    3.589400       3.386200       1.447600    
 H    4.664300       2.077600       1.990200    
 H    5.265800       3.281700      0.8612000    
 H    2.685100       3.248800      -1.003300    
 H    4.417700       3.436000      -1.322400    
 H    3.566800       2.121800      -2.075600    


%chk=000040489-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040489

0 1
N -4.259074 1.790091 0.055098
N 4.258938 1.790417 -0.054994
C -1.248252 -0.728139 0.328310
C 1.248298 -0.728022 -0.328269
C -0.330860 -2.543758 -1.218378
C 0.331065 -2.543764 1.218363
C -0.000014 0.146838 0.000037
C -1.554495 -1.645459 -0.893238
C -0.890465 -1.645626 1.538954
C 0.890588 -1.645499 -1.538941
C 1.554623 -1.645352 0.893249
C 0.000140 -3.444460 -0.000021
C -2.473085 0.141956 0.730973
C 2.473054 0.142189 -0.730912
C -2.972101 1.150902 -0.324910
C 2.972005 1.151140 0.325000
C -4.862313 2.512847 -1.083456
C -4.149843 2.658763 1.244912
C 4.862144 2.513172 1.083577
C 4.149653 2.659117 -1.244782
H -0.564211 -3.176538 -2.098123
H 0.564470 -3.176550 2.098089
H -0.212143 0.807513 -0.865746
H 0.212061 0.807502 0.865842
H -1.802800 -1.031875 -1.782440
H -2.442227 -2.273331 -0.671877
H -1.767038 -2.275776 1.795111
H -0.673329 -1.015429 2.426760
H 1.767218 -2.275559 -1.795126
H 0.673390 -1.015290 -2.426724
H 1.802877 -1.031773 1.782469
H 2.442406 -2.273143 0.671869
H -0.860986 -4.101992 0.235267
H 0.861320 -4.101916 -0.235325
H -2.206314 0.681009 1.663435
H -3.323510 -0.525313 0.979771
H 2.206228 0.681255 -1.663351
H 3.323531 -0.525000 -0.979744
H -2.183019 1.924195 -0.519635
H -3.147033 0.620581 -1.280110
H 2.182874 1.924377 0.519746
H 3.146971 0.620805 1.280186
H -5.009182 1.817977 -1.929762
H -4.241161 3.372850 -1.446328
H -5.851736 2.909168 -0.791520
H -3.825851 2.073459 2.121392
H -5.140497 3.089478 1.476622
H -3.427772 3.505631 1.104813
H 4.240947 3.373130 1.446478
H 5.009059 1.818286 1.929862
H 5.851543 2.909558 0.791645
H 3.427550 3.505953 -1.104649
H 5.140287 3.089879 -1.476496
H 3.825671 2.073825 -2.121273


