%chk=000037568.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037568

0 1
 N   -3.596700     -0.1439000     -0.1241000    
 N    3.688200      0.2217000      0.4259000    
 C  -0.6876000     -6.6500001E-02  0.4364000    
 C   0.7576000      0.1148000     -3.3599999E-02
 C   -1.389400      -1.181000     -0.3454000    
 C    1.472200       1.201600      0.7750000    
 C   -2.837400      -1.377100      9.0599999E-02
 C    2.897600       1.446400      0.2915000    
 C   -4.841400     -0.1334000      0.1989000    
 C    4.921500      0.2525000      6.2600002E-02
 C   -5.599700       1.166100      1.0100000E-02
 C    5.735300      -1.013100      0.2507000    
 C   -5.590100      -1.298000      0.8028000    
 C    5.634100       1.466800     -0.4841000    
 C   -6.294800       1.187400      -1.338600    
 C    5.730500      -1.844400      -1.018800    
 H  -0.7003000     -0.3083000       1.506100    
 H   -1.224700      0.8811000      0.3124000    
 H   0.7661000      0.3824000      -1.097200    
 H    1.290800     -0.8381000      6.4900003E-02
 H  -0.8455000      -2.123700     -0.2117000    
 H   -1.363200     -0.9424000      -1.416000    
 H    1.490700      0.9120000       1.833000    
 H   0.9094000       2.140300      0.7072000    
 H   -2.857800      -1.663700       1.148700    
 H   -3.263600      -2.195200     -0.5014000    
 H    2.864700       1.772300     -0.7547000    
 H    3.335100       2.250700      0.8944000    
 H   -4.897600       2.004800      7.8400001E-02
 H   -6.328600       1.279900      0.8192000    
 H    5.309000      -1.594800       1.075900    
 H    6.759600     -0.7462000      0.5307000    
 H   -5.219800      -1.484000       1.814300    
 H   -6.659400      -1.076700      0.8574000    
 H   -5.460100      -2.193500      0.1903000    
 H    5.720100       2.223600      0.3001000    
 H    6.638800       1.199500     -0.8228000    
 H    5.086700       1.876900      -1.336200    
 H   -6.835000       2.129100      -1.475300    
 H   -7.011800      0.3644000      -1.424900    
 H   -5.571800       1.084300      -2.154700    
 H    6.311800      -2.760600     -0.8778000    
 H    6.164800      -1.287400      -1.855500    
 H    4.710100      -2.124500      -1.300800    


%chk=000037568-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037568

0 1
N -3.618980 -0.106525 -0.310875
N 3.769814 0.271966 0.670567
C -0.652842 -0.078360 0.398076
C 0.797546 0.232580 -0.028681
C -1.354758 -1.091555 -0.530818
C 1.501141 1.243908 0.900971
C -2.820909 -1.349134 -0.132467
C 2.963821 1.509658 0.493755
C -4.852817 -0.060911 0.118038
C 4.971595 0.199232 0.162019
C -5.645654 1.216937 -0.118710
C 5.758378 -1.088148 0.367079
C -5.572718 -1.205728 0.833775
C 5.653146 1.310601 -0.639802
C -6.779104 1.027657 -1.161676
C 6.009709 -1.853999 -0.958441
H -0.650566 -0.473315 1.436897
H -1.253567 0.852892 0.413072
H 0.794759 0.628926 -1.067044
H 1.396971 -0.699682 -0.045587
H -0.800019 -2.052519 -0.523513
H -1.337779 -0.709751 -1.570733
H 1.493407 0.856813 1.938917
H 0.942195 2.202406 0.902180
H -2.862182 -1.714921 0.919515
H -3.245523 -2.160219 -0.765021
H 2.996813 1.883365 -0.555517
H 3.387893 2.316524 1.131598
H -4.942344 1.993425 -0.465868
H -6.088513 1.558103 0.839594
H 5.189422 -1.723600 1.067507
H 6.734547 -0.849641 0.837908
H -5.046509 -1.470191 1.772115
H -6.612881 -0.940763 1.084573
H -5.586847 -2.120792 0.210330
H 5.634085 2.267179 -0.083527
H 6.702110 1.060677 -0.869151
H 5.125805 1.488918 -1.597811
H -7.344937 1.967360 -1.295478
H -7.495214 0.244591 -0.850498
H -6.358442 0.736816 -2.140703
H 6.595768 -2.771884 -0.770980
H 6.570526 -1.239703 -1.687151
H 5.052055 -2.147093 -1.424533


