%chk=000056950.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056950

0 1
 S    1.108100      0.6255000      -1.054900    
 O   -6.129200      -1.890300     -0.1244000    
 O    4.227900       1.934400      -1.046700    
 N   -3.817000     -0.2956000     -2.5500000E-02
 N   -2.817100       1.621000      0.9351000    
 N  -0.4999000       2.107400      0.4866000    
 N    4.213400     -5.1100001E-02  0.1540000    
 N    5.475600     -0.3619000     -0.2137000    
 C   -5.148700      0.3230000      2.7799999E-02
 C   -3.765100      -1.702400      0.3870000    
 C   -6.161500     -0.5737000     -0.6751000    
 C   -4.852000      -2.491400     -0.3346000    
 C   -2.699700      0.5261000      0.1555000    
 C   -1.532100      0.1611000     -0.4827000    
 C  -0.4401000      0.9944000     -0.2859000    
 C   -1.694900       2.355800       1.055500    
 C    2.242500       1.337100      0.1607000    
 C    3.661000       1.127100     -0.3119000    
 C    5.976600      -1.472800      0.2343000    
 C    7.386700      -1.819900     -0.1761000    
 C    5.265600      -2.453800       1.135000    
 H   -5.148100       1.305500     -0.4591000    
 H   -5.436600      0.4571000       1.077800    
 H   -3.927400      -1.752900       1.470800    
 H   -2.794000      -2.161500      0.1731000    
 H   -7.171700     -0.1756000     -0.5375000    
 H   -5.968800     -0.6253000      -1.753600    
 H   -4.651500      -2.555000      -1.411000    
 H   -4.893000      -3.513100      5.6000002E-02
 H   -1.468400     -0.7173000      -1.115700    
 H   -1.760600       3.240900       1.676100    
 H    2.094300      0.8713000       1.140600    
 H    2.082100       2.415400      0.2637000    
 H    3.701600     -0.6893000      0.7522000    
 H    7.805000      -1.044900     -0.8241000    
 H    8.010000      -1.913600      0.7174000    
 H    7.382000      -2.771700     -0.7142000    
 H    5.917400      -3.301800       1.362300    
 H    4.993600      -1.964600       2.074300    
 H    4.368200      -2.830600      0.6369000    


%chk=000056950-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056950

0 1
S 1.066682 0.169535 -2.843456
O -5.953429 -1.028407 0.439042
O 4.803971 0.631124 -2.718773
N -3.084804 -0.976051 0.168664
N -1.152246 -0.087871 1.174954
N 0.845382 0.467648 -0.100067
N 3.695565 0.179783 -0.676644
N 4.795976 -0.483118 -0.124951
C -3.711156 -1.109970 1.507126
C -3.929085 -1.485258 -0.931594
C -5.103379 -0.454855 1.500355
C -5.323673 -0.821665 -0.871279
C -1.796831 -0.505852 0.016448
C -1.123193 -0.415372 -1.242991
C 0.196072 0.074180 -1.246471
C 0.108094 0.370969 1.048861
C 2.492485 1.364419 -2.434392
C 3.788740 0.679192 -1.974178
C 4.698401 -0.911826 1.116613
C 5.905371 -1.631273 1.675232
C 3.480545 -0.738257 2.013305
H -3.044476 -0.639288 2.245833
H -3.814136 -2.187716 1.747688
H -4.043299 -2.583446 -0.825037
H -3.469369 -1.281843 -1.910934
H -5.636870 -0.655855 2.443262
H -5.008527 0.642233 1.352572
H -5.229885 0.266036 -1.081156
H -6.005138 -1.281959 -1.605199
H -1.592782 -0.698837 -2.186202
H 0.600419 0.700916 1.969406
H 2.101969 2.071912 -1.684023
H 2.694040 1.878661 -3.384976
H 2.765149 0.280019 -0.202969
H 6.698887 -1.683020 0.913721
H 6.298018 -1.109335 2.570057
H 5.642211 -2.660034 1.991295
H 3.686195 -1.108982 3.030017
H 3.186662 0.327850 2.088067
H 2.605644 -1.291388 1.618775


