%chk=000122790.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122790

0 1
 S   -3.583900      2.0000001E-03  -1.206800    
 S    3.584000      9.9999997E-05  -1.206900    
 N   -6.097300      1.1000000E-03  -2.006300    
 N    6.097500      3.1999999E-03  -2.006100    
 N   -5.759200      1.7000000E-03  0.3311000    
 N    5.759100     -1.3000000E-03  0.3313000    
 C   -1.393700      9.9999997E-05  0.4707000    
 C    1.393700     -1.3000000E-03  0.4705000    
 C  -0.7055000       1.224800      0.4709000    
 C   0.7066000       1.224200      0.4707000    
 C  -0.7066000      -1.225400      0.4704000    
 C   0.7055000      -1.226000      0.4704000    
 C   -2.898700      6.0000003E-04  0.4725000    
 C    2.898700     -1.3000000E-03  0.4724000    
 C   -1.391900       2.450400      0.4714000    
 C    1.394000       2.449300      0.4711000    
 C   -1.394000      -2.450500      0.4704000    
 C    1.391800      -2.451600      0.4702000    
 C  -0.6940000       3.658300      0.4715000    
 C   0.6972000       3.657700      0.4714000    
 C  -0.6972000      -3.659000      0.4699000    
 C   0.6939000      -3.659500      0.4697000    
 C   -5.315900      2.4999999E-03 -0.8852000    
 C    5.316000     -1.9999999E-04 -0.8851000    
 H   -3.302200     -0.8445000       1.038100    
 H   -3.301300      0.8454000       1.039200    
 H    3.301800      0.8429000       1.039500    
 H    3.301600     -0.8469000       1.037600    
 H   -2.472600       2.535800      0.4489000    
 H    2.474900       2.533800      0.4484000    
 H   -2.474900      -2.535000      0.4478000    
 H    2.472600      -2.537000      0.4474000    
 H   -1.236300       4.599400      0.4653000    
 H    1.240200       4.598300      0.4652000    
 H   -1.240300      -4.599600      0.4633000    
 H    1.236200      -4.600500      0.4630000    
 H   -7.109600       0.000000      -1.945600    
 H   -5.686700      5.0000002E-04  -2.933700    
 H    7.109800      3.8000001E-03  -1.945300    
 H    5.687000      4.4999998E-03  -2.933500    
 H   -6.784900      1.0000000E-03  0.3094000    
 H    6.784800     -3.0000001E-04  0.3097000    


%chk=000122790-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000122790

0 1
S -3.817350 0.674986 -1.018981
S 3.822591 0.674071 -1.000688
N -5.782287 -0.822725 -2.067783
N 5.791989 -0.823104 -2.041820
N -4.849076 -1.658820 0.017491
N 4.846105 -1.663308 0.036050
C -1.449592 0.484173 0.583409
C 1.447083 0.482511 0.590239
C -0.730584 1.721708 0.587742
C 0.729408 1.720872 0.591277
C -0.733302 -0.752259 0.494580
C 0.729868 -0.753059 0.497785
C -2.952530 0.493610 0.688422
C 2.949391 0.490466 0.702600
C -1.412336 2.994411 0.568128
C 1.412762 2.992736 0.574972
C -1.422820 -2.017779 0.396609
C 1.418510 -2.019263 0.402153
C -0.715793 4.198066 0.557014
C 0.717710 4.197224 0.560477
C -0.719472 -3.214286 0.307952
C 0.714348 -3.215051 0.310563
C -4.935745 -0.804298 -0.965117
C 4.939052 -0.806466 -0.943932
H -3.387914 -0.443510 1.073938
H -3.326863 1.331162 1.292844
H 3.321529 1.326672 1.310312
H 3.382310 -0.447685 1.088181
H -2.505437 3.019007 0.533161
H 2.506045 3.016037 0.545175
H -2.517910 -2.040279 0.368833
H 2.513672 -2.042576 0.378108
H -1.259527 5.148881 0.532238
H 1.262701 5.147383 0.538226
H -1.263380 -4.162414 0.227541
H 1.257563 -4.163714 0.231906
H -6.408045 -1.610632 -2.223131
H -5.771897 -0.067483 -2.751436
H 6.416045 -1.612452 -2.196753
H 5.786767 -0.065912 -2.723365
H -5.516521 -2.450247 -0.005250
H 5.513131 -2.455157 0.015128


