%chk=000082466.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082466

0 1
 S   -3.196200     -0.4966000      -1.265000    
 S    3.202400     -0.4978000       1.272500    
 S   -5.323400      -1.944300      0.2064000    
 S    5.320000      -1.943900     -0.2107000    
 N   -5.176900      0.8088000      6.6699997E-02
 N    5.175600      0.8093000     -6.7599997E-02
 C  -0.5481000     -0.4731000     -0.5360000    
 C   0.5492000     -0.4744000      0.5363000    
 C   -1.956700     -0.4863000      5.2299999E-02
 C    1.958200     -0.4899000     -5.1700000E-02
 C   -4.666000     -0.4612000     -0.2667000    
 C    4.667100     -0.4608000      0.2691000    
 C   -6.376700      0.9806000      0.8893000    
 C   -4.571000       2.073900     -0.3600000    
 C    6.368400      0.9814000     -0.9004000    
 C    4.573900       2.074200      0.3653000    
 H  -0.4078000      -1.350900      -1.180000    
 H  -0.4176000      0.4142000      -1.169000    
 H   0.4077000      -1.352300       1.180000    
 H   0.4206000      0.4128000       1.169700    
 H   -2.086800      -1.373700      0.6805000    
 H   -2.105500      0.3971000      0.6821000    
 H    2.089400      -1.379200     -0.6767000    
 H    2.109500      0.3925000     -0.6820000    
 H   -6.136200       1.655300       1.717200    
 H   -7.157200       1.433500      0.2699000    
 H   -6.762400      5.2000001E-02   1.309100    
 H   -3.871800       2.396400      0.4170000    
 H   -4.045900       1.989400      -1.312200    
 H   -5.351400       2.832300     -0.4800000    
 H    7.154600       1.432800     -0.2870000    
 H    6.749700      5.3100001E-02  -1.324800    
 H    6.121200       1.657500      -1.725200    
 H    5.356800       2.829800      0.4868000    
 H    3.874200       2.401800     -0.4090000    
 H    4.050300       1.987900       1.318200    


%chk=000082466-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000082466

0 1
S -3.444485 0.468140 -0.565820
S 3.444027 0.468296 0.565016
S -4.417192 0.467957 2.408317
S 4.416492 0.467731 -2.409148
N -6.031827 0.469797 0.183104
N 6.031321 0.470097 -0.184012
C -0.653723 0.467182 -0.417964
C 0.653282 0.467270 0.417149
C -1.885909 0.467070 0.503655
C 1.885466 0.467029 -0.504472
C -4.771232 0.468760 0.734398
C 4.770698 0.468866 -0.735261
C -7.243553 0.470260 1.028077
C -6.252555 0.470236 -1.280231
C 7.243050 0.470322 -1.028990
C 6.252070 0.470775 1.279317
H -0.671651 -0.423333 -1.076216
H -0.671728 1.357786 -1.076097
H 0.671229 -0.423131 1.075556
H 0.671279 1.357989 1.075126
H -1.933343 -0.426413 1.146965
H -1.932809 1.359926 1.147877
H 1.932897 -0.426555 -1.147642
H 1.932356 1.359786 -1.148832
H -7.850027 1.372035 0.822084
H -7.851416 -0.430339 0.821047
H -6.938927 0.469425 2.085409
H -5.806394 1.366096 -1.750539
H -5.809433 -0.427092 -1.750632
H -7.336290 0.472133 -1.473593
H 7.850832 -0.430302 -0.821827
H 6.938426 0.469362 -2.086322
H 7.849601 1.372072 -0.823121
H 7.335805 0.473294 1.472668
H 5.805417 1.366429 1.749541
H 5.809449 -0.426756 1.749813


