%chk=000048941.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048941

0 1
 S    4.168700      -1.051500       1.347200    
 O  -0.5223000      1.8200001E-02 -0.4609000    
 O  -0.6874000       2.220400      -1.110700    
 N   -4.175200     -0.1384000      6.0999999E-03
 C   -5.045700      0.2517000       1.124200    
 C   -4.407200      -1.536000     -0.3851000    
 C   -6.521700      8.8000000E-02  0.7578000    
 C   -5.862100      -1.758300     -0.8007000    
 C   -6.825200      -1.334900      0.3027000    
 C   -2.770000      6.8400003E-02  0.3554000    
 C   -1.873000     -0.2114000     -0.8399000    
 C  -5.4499999E-02   1.282900     -0.6504000    
 C    1.362000       1.390400     -0.2186000    
 C    1.992700      0.2724000      0.2874000    
 C    3.324100      0.3739000      0.6905000    
 C    2.004400       2.605700     -0.3392000    
 C    5.537700      -1.243700      0.1710000    
 C    5.939100      -2.709800      5.3300001E-02
 C    3.995700       1.591300      0.5790000    
 C    3.335900       2.707200      6.4000003E-02
 C    7.084200      -2.886700     -0.9332000    
 H   -4.873600       1.304300       1.379900    
 H   -4.820900     -0.3424000       2.019900    
 H   -4.146100      -2.222200      0.4313000    
 H   -3.814800      -1.819700      -1.259000    
 H   -7.147700      0.3415000       1.620700    
 H   -6.781400      0.7913000     -4.3600000E-02
 H   -6.076600      -1.185300      -1.712000    
 H   -6.021400      -2.815100      -1.043100    
 H   -6.730100      -2.019800       1.154200    
 H   -7.859000      -1.404000     -5.2900001E-02
 H   -2.615100       1.107300      0.6736000    
 H   -2.464700     -0.5557000       1.206100    
 H   -2.154200      0.3831000      -1.718000    
 H   -1.896400      -1.261300      -1.141200    
 H    1.491900     -0.6867000      0.3839000    
 H    1.506000       3.484200     -0.7379000    
 H    5.230800     -0.8736000     -0.8136000    
 H    6.382400     -0.6357000      0.5114000    
 H    5.087700      -3.313300     -0.2841000    
 H    6.252300      -3.099400       1.029500    
 H    5.032300       1.693600      0.8904000    
 H    3.858700       3.655400     -2.2299999E-02
 H    6.798700      -2.541500      -1.932000    
 H    7.362000      -3.942900      -1.005600    
 H    7.967400      -2.324100     -0.6140000    


%chk=000048941-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048941

0 1
S 4.087116 -1.755228 -0.435037
O -0.811233 0.105555 -0.838894
O -0.867503 2.413829 -0.496374
N -4.460358 -0.214217 0.108563
C -5.353247 0.481359 1.069830
C -4.774627 -1.662176 0.015905
C -6.830310 0.326534 0.653015
C -6.232848 -1.886279 -0.433062
C -7.211587 -1.166439 0.523269
C -3.020266 0.048941 0.328150
C -2.291530 0.111273 -1.028956
C -0.215344 1.341579 -0.570684
C 1.263396 1.227275 -0.395262
C 1.927047 -0.019750 -0.480434
C 3.331036 -0.088991 -0.306854
C 1.997236 2.414949 -0.135821
C 5.926736 -1.404359 -0.158610
C 6.702678 -2.731155 -0.239302
C 4.064071 1.096135 -0.048862
C 3.392495 2.338625 0.034535
C 8.217412 -2.511597 -0.024648
H -5.074881 1.551004 1.091176
H -5.223723 0.079249 2.110097
H -4.613465 -2.167193 1.006101
H -4.080511 -2.134121 -0.704254
H -7.477026 0.832194 1.395795
H -6.976922 0.831502 -0.321352
H -6.355352 -1.488097 -1.458822
H -6.445691 -2.972318 -0.465073
H -7.165138 -1.645795 1.523601
H -8.252749 -1.270782 0.163731
H -2.898352 1.020682 0.838100
H -2.536701 -0.727504 0.968438
H -2.588102 1.018264 -1.581332
H -2.484687 -0.788019 -1.634226
H 1.340597 -0.920830 -0.682169
H 1.460104 3.366195 -0.074448
H 6.267792 -0.701082 -0.939021
H 6.046640 -0.938085 0.835595
H 6.529682 -3.201081 -1.226486
H 6.314811 -3.433495 0.523210
H 5.149025 1.068304 0.088044
H 3.970628 3.247349 0.234128
H 8.636211 -1.831410 -0.789583
H 8.763245 -3.469832 -0.089953
H 8.422595 -2.073159 0.969740


