%chk=000056949.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056949

0 1
 S   0.2756000      -3.059900      7.6399997E-02
 O   -1.714500      -1.513900       1.953300    
 N    3.120200       1.158200      0.7369000    
 N    2.077500      0.8134000      -1.375800    
 N   0.7299000      -1.150600      -1.741800    
 N   -2.281600     -0.4055000     -4.8000002E-03
 N   -2.640300      0.7177000      0.6546000    
 C    2.305100      0.3776000     -0.1193000    
 C    1.787700     -0.7953000      0.3909000    
 C   0.9927000      -1.539400     -0.4694000    
 C    3.384200      0.7197000       2.089600    
 C    3.705300       2.391700      0.2593000    
 C   -1.479100      -2.675200     -0.1330000    
 C   -1.825300      -1.484600      0.7285000    
 C    1.293100      1.2100000E-02  -2.121600    
 C   -3.066300       1.720200     -5.2000001E-02
 C   -3.466700       2.975000      0.6843000    
 C   -3.197400       1.738600      -1.555900    
 H    1.961700      -1.156000       1.396700    
 H    4.025600       1.430900       2.622800    
 H    3.914200     -0.2394000       2.104100    
 H    2.460500      0.6451000       2.674700    
 H    4.367000       2.201900     -0.5929000    
 H    4.303100       2.890400       1.029600    
 H    2.925500       3.096000     -5.1100001E-02
 H   -2.080800      -3.526700      0.1994000    
 H   -1.704700      -2.500300      -1.189200    
 H    1.092600      0.3384000      -3.134700    
 H   -2.354700     -0.4273000      -1.015300    
 H   -3.332400       2.852800       1.762600    
 H   -2.848800       3.808500      0.3394000    
 H   -4.517500       3.195200      0.4776000    
 H   -3.579200       2.706700      -1.892000    
 H   -2.218500       1.574300      -2.014800    
 H   -3.895400      0.9607000      -1.876700    


%chk=000056949-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000056949

0 1
S -0.165997 -2.149427 1.367330
O -3.891806 -2.400483 0.880442
N 3.944142 0.970202 0.442331
N 2.035963 1.193275 -0.915452
N 0.050302 -0.175015 -0.563791
N -2.802421 -0.503562 -0.024464
N -3.918989 0.322531 0.133743
C 2.670181 0.549914 0.141340
C 2.010461 -0.504462 0.850621
C 0.697751 -0.825303 0.460058
C 4.684878 0.342688 1.548106
C 4.559289 2.049135 -0.361200
C -1.567640 -2.595458 0.157088
C -2.879712 -1.831498 0.391163
C 0.780771 0.792456 -1.201402
C -3.834535 1.563002 -0.300821
C -5.059476 2.427367 -0.104576
C -2.615129 2.176693 -0.974095
H 2.496898 -1.060815 1.653624
H 5.668687 0.825189 1.645649
H 4.850224 -0.737838 1.367842
H 4.149512 0.456397 2.510961
H 4.629345 1.760006 -1.424337
H 5.568627 2.250197 0.031135
H 3.955463 2.971618 -0.311338
H -1.753444 -3.663389 0.340656
H -1.165145 -2.438156 -0.857216
H 0.286943 1.299012 -2.037138
H -1.870797 -0.180625 -0.382819
H -5.851251 1.849610 0.397004
H -4.821418 3.319154 0.508227
H -5.443330 2.796542 -1.076045
H -2.827067 3.204221 -1.309889
H -1.748598 2.214346 -0.285109
H -2.304380 1.583475 -1.857227


