%chk=000063681.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063681

0 1
 S   -1.635700      2.4499999E-02  -1.275900    
 O    2.691800       1.068100       1.217200    
 N   0.7270000      0.6329000     -3.7000000E-03
 N   -4.751400      -2.090000      0.2094000    
 N   0.4003000      -1.547600     -0.9249000    
 C   0.2945000       1.997200      0.1230000    
 C  -6.5000001E-03 -0.3365000     -0.7101000    
 C    2.430400      -1.081300      0.3580000    
 C    1.964800      0.3038000      0.5867000    
 C   -4.031000      -1.103400     -0.5899000    
 C   -2.538500      -1.189300     -0.2957000    
 C    1.640100      -1.939300     -0.4084000    
 C   0.6414000       2.938500     -0.8382000    
 C  -0.4768000       2.354600       1.222300    
 C    3.654400      -1.515100      0.8812000    
 C   0.2106000       4.257800     -0.6980000    
 C    2.090300      -3.243200     -0.6470000    
 C    1.470000       2.573200      -2.026700    
 C  -0.9078000       3.673900       1.362400    
 C  -0.5640000       4.625500      0.4023000    
 C    4.090400      -2.816400      0.6362000    
 C   -6.183600      -2.045100     -8.8000000E-02
 C   -4.520500      -1.862800       1.636400    
 C    3.309800      -3.680000     -0.1284000    
 H   -4.404600     -9.0000004E-02 -0.3883000    
 H   -4.200000      -1.310300      -1.654800    
 H   -2.168600      -2.196000     -0.5192000    
 H   -2.306000     -0.9582000      0.7471000    
 H  -0.7502000       1.620600       1.975600    
 H    4.280700     -0.8566000       1.476700    
 H   0.4689000       5.012100      -1.436500    
 H    1.488600      -3.929900      -1.237800    
 H    2.445100       2.186600      -1.713300    
 H   0.9609000       1.820800      -2.637200    
 H    1.658900       3.438600      -2.671500    
 H   -1.511100       3.960000       2.218900    
 H  -0.8997000       5.652600      0.5114000    
 H    5.039500      -3.156200       1.040200    
 H   -6.717500      -2.824800      0.4669000    
 H   -6.628400      -1.075600      0.1640000    
 H   -6.362800      -2.241300      -1.151000    
 H   -3.513800      -2.163900       1.941600    
 H   -4.695000     -0.8214000       1.930700    
 H   -5.191600      -2.491300       2.235100    
 H    3.648900      -4.694000     -0.3195000    


%chk=000063681-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063681

0 1
S -1.768406 0.464671 0.029663
O 3.215872 1.420860 0.299178
N 0.937431 0.848224 0.229026
N -4.954226 -2.182652 -0.169121
N 0.192098 -1.446267 0.182993
C 0.578087 2.263956 0.230073
C -0.051601 -0.151273 0.163975
C 2.613629 -0.938425 0.319280
C 2.340447 0.510613 0.284223
C -4.185825 -0.920917 -0.054213
C -2.673950 -1.201381 -0.124224
C 1.528055 -1.871367 0.269588
C 0.632220 3.004122 -0.980754
C 0.201839 2.859278 1.452378
C 3.952217 -1.403149 0.397482
C 0.275198 4.373769 -0.920427
C 1.809988 -3.265605 0.301753
C 1.070597 2.358673 -2.278762
C -0.148949 4.225298 1.487803
C -0.112736 4.982019 0.294735
C 4.216789 -2.782014 0.430327
C -6.329098 -1.969456 -0.665829
C -4.934432 -2.994033 1.065657
C 3.139352 -3.712105 0.382106
H -4.426435 -0.361658 0.886150
H -4.472984 -0.269362 -0.900736
H -2.393530 -1.660391 -1.083385
H -2.306534 -1.835697 0.695665
H 0.190224 2.251913 2.363239
H 4.755930 -0.660287 0.431607
H 0.307856 4.969115 -1.840311
H 0.969237 -3.964566 0.260206
H 2.129958 2.047342 -2.218109
H 0.472572 1.457163 -2.507398
H 0.968482 3.060217 -3.123413
H -0.441448 4.692359 2.433925
H -0.381537 6.044138 0.310567
H 5.248473 -3.143491 0.492409
H -6.818173 -2.946958 -0.827073
H -6.970821 -1.376637 0.034571
H -6.299347 -1.441250 -1.635170
H -3.896751 -3.220546 1.363453
H -5.441366 -2.489713 1.927722
H -5.445669 -3.955504 0.881827
H 3.349469 -4.787229 0.406641


