%chk=000051239.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051239

0 1
 S   -4.661500       1.533000      0.4150000    
 N   -1.267900      -2.032700     -0.3421000    
 N  -0.3190000      0.1209000      4.6100002E-02
 N   -2.642800     -0.1390000     -3.7599999E-02
 N    3.693400     -0.7434000      0.9240000    
 N   -2.142000       2.090400      0.5702000    
 C   -2.476600      -2.835900     -0.4589000    
 C   -3.157100      -2.886300      -1.795400    
 C   -2.409900      -4.084800      -1.288400    
 C   -1.391900     -0.7588000     -9.0099998E-02
 C    1.042000     -0.1506000      0.3233000    
 C    2.077400      0.5473000     -0.3131000    
 C    1.334400      -1.137800       1.253400    
 C    3.406600      0.2141000      2.1800000E-02
 C    2.665100      -1.393400       1.515500    
 C    1.814600       1.552400      -1.259300    
 C   -3.000200       1.137400      0.3092000    
 C    4.434800      0.9077000     -0.6107000    
 C    2.862100       2.230000      -1.876400    
 C    4.173700       1.907000      -1.551500    
 C    3.027100      -2.446600       2.509000    
 C   -4.218500       3.130900      0.8531000    
 C   -2.843800       3.238100      0.8830000    
 H   -3.089800      -2.898900      0.4345000    
 H   -2.723100      -2.335100      -2.620600    
 H   -4.239100      -2.932600      -1.807200    
 H   -2.990200      -4.939500     -0.9629000    
 H   -1.473100      -4.335900      -1.770700    
 H  -0.5092000       1.107200     -9.8300003E-02
 H   -3.440200     -0.7425000     -0.2193000    
 H   0.5548000      -1.686000       1.772400    
 H   0.8034000       1.827100      -1.546600    
 H    5.471000      0.6734000     -0.3737000    
 H    2.655600       3.004600      -2.608700    
 H    4.997300       2.430300      -2.028600    
 H    4.113800      -2.537000       2.608500    
 H    2.617700      -2.198300       3.493300    
 H    2.635400      -3.418700       2.193100    
 H   -4.958900       3.890300       1.060100    
 H   -2.297900       4.138800       1.129400    


%chk=000051239-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051239

0 1
S -4.653740 1.796236 -0.556100
N -1.381819 -2.122371 0.354043
N -0.328422 0.002546 0.002111
N -2.692564 -0.163402 -0.105781
N 3.837714 -0.903697 0.467431
N -1.998609 2.122985 -0.435129
C -2.624642 -2.859349 0.503061
C -3.538784 -3.183090 -0.725055
C -2.695355 -4.276462 -0.042829
C -1.432789 -0.831894 0.102692
C 1.032193 -0.327634 0.160478
C 2.006523 0.743082 0.020096
C 1.493374 -1.621792 0.443201
C 3.400467 0.387444 0.185686
C 2.898158 -1.866845 0.589445
C 1.674362 2.106755 -0.266929
C -2.929913 1.173509 -0.343523
C 4.400300 1.403706 0.057138
C 2.673981 3.078244 -0.387184
C 4.048427 2.725932 -0.224360
C 3.381006 -3.270319 0.895463
C -3.931710 3.439097 -0.773240
C -2.557980 3.385346 -0.671291
H -3.147989 -2.686470 1.456273
H -3.197800 -2.841259 -1.708067
H -4.625750 -3.208066 -0.592072
H -3.214932 -5.037083 0.546381
H -1.811421 -4.628897 -0.580995
H -0.573276 0.993643 -0.195127
H -3.480821 -0.818010 -0.133396
H 0.770339 -2.431638 0.549558
H 0.630536 2.415503 -0.397108
H 5.441888 1.094953 0.189235
H 2.401434 4.116457 -0.607465
H 4.823188 3.494604 -0.320789
H 4.478595 -3.274349 0.979619
H 2.946122 -3.643385 1.841860
H 3.079171 -3.976587 0.099107
H -4.576842 4.294112 -0.957035
H -1.895120 4.245544 -0.764603


