%chk=000006633.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006633

0 1
 S  -3.8800001E-02  -1.904400      0.1724000    
 O  -0.1711000      -2.565700      -1.111700    
 O   0.1657000      -2.685000       1.377600    
 N   -1.359300     -0.8667000      0.4136000    
 C   -1.686000      0.1626000     -0.6096000    
 C   -3.085800     -9.9600002E-02  -1.169400    
 C   -1.569100       1.556000      1.1700000E-02
 C   -4.193600      0.2065000     -0.1615000    
 C   -2.684900       1.853300       1.013400    
 C   -4.064500       1.615600      0.4080000    
 C    1.307600     -0.7642000      6.2300000E-02
 C    1.982400     -0.4021000       1.215200    
 C    1.661700     -0.2542000      -1.174800    
 C    3.044600      0.4978000       1.128300    
 C    2.724100      0.6454000      -1.261800    
 C    3.415600       1.021500     -0.1103000    
 C    4.551400       1.983400     -0.2032000    
 H  -0.9918000      9.0000004E-02  -1.449800    
 H   -3.174800      -1.141300      -1.500500    
 H   -3.236600      0.5292000      -2.056300    
 H   -1.610600       2.304300     -0.7902000    
 H  -0.5986000       1.678100      0.5063000    
 H   -4.163500     -0.5235000      0.6564000    
 H   -5.170000      9.5200002E-02 -0.6469000    
 H   -2.607000       2.895300       1.344700    
 H   -2.563500       1.232100       1.908500    
 H   -4.244600       2.348500     -0.3881000    
 H   -4.834700       1.777400       1.170400    
 H   -1.790300     -0.7781000       1.340600    
 H    1.704300     -0.7920000       2.189300    
 H    1.144900     -0.5401000      -2.085500    
 H    3.575600      0.7834000       2.032600    
 H    3.006100       1.043700      -2.233000    
 H    4.406900       2.686700      -1.030400    
 H    4.640600       2.579200      0.7115000    
 H    5.489600       1.442600     -0.3625000    


%chk=000006633-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006633

0 1
S -0.052890 -1.298507 -0.005758
O -0.359823 -1.779276 -1.539442
O -0.100764 -2.333157 1.254836
N -1.195716 0.095981 0.515481
C -2.008051 0.696814 -0.593087
C -3.217991 -0.171312 -1.037242
C -2.479799 2.095084 -0.105820
C -4.298883 -0.269263 0.066633
C -3.569678 2.000583 0.989820
C -4.765971 1.133230 0.526436
C 1.629673 -0.457087 -0.043059
C 2.275574 -0.199451 1.176656
C 2.190861 -0.158739 -1.293616
C 3.550536 0.403958 1.128893
C 3.467635 0.446106 -1.313526
C 4.162974 0.735111 -0.110282
C 5.549181 1.352275 -0.145555
H -1.319131 0.827291 -1.449040
H -2.858972 -1.170394 -1.343943
H -3.663598 0.302488 -1.935617
H -2.892112 2.632564 -0.984205
H -1.606881 2.665782 0.258739
H -3.905214 -0.832096 0.940776
H -5.156976 -0.858679 -0.308022
H -3.915310 3.017981 1.254806
H -3.133160 1.570182 1.914438
H -5.273880 1.639514 -0.320771
H -5.511335 1.043355 1.339968
H -1.784008 -0.364967 1.239046
H 1.806074 -0.473953 2.126316
H 1.652292 -0.411107 -2.212892
H 4.078053 0.618002 2.065573
H 3.930091 0.690745 -2.276646
H 5.703402 1.953569 -1.058038
H 5.726950 2.002139 0.728947
H 6.328849 0.566136 -0.133504


