%chk=000022984.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022984

0 1
 S    4.890300      5.1700000E-02 -6.5300003E-02
 O   -1.440400       2.183800     -6.9999998E-04
 O   0.4132000      -2.828000     -2.4000000E-02
 O    5.351500     -1.9099999E-02   1.501000    
 O    5.111300      -1.269500     -0.6350000    
 O    5.504000       1.230000     -0.6575000    
 O   -4.193400       1.934500       1.120200    
 O   -4.211700       1.938300      -1.074900    
 N   -3.950200       1.388200      1.9600000E-02
 C   0.9040000     -0.5306000     -2.5800001E-02
 C   0.4088000      0.7751000     -2.0900000E-02
 C   -1.971800     -0.1280000      6.9999998E-04
 C   -1.476500      -1.433600     -4.4000000E-03
 C   -1.047300       1.024100     -6.8999999E-03
 C  -2.0600000E-02  -1.682700     -1.7899999E-02
 C    2.286100     -0.7531000     -3.8600001E-02
 C    3.166500      0.3293000     -4.6999998E-02
 C    1.295700       1.858300     -2.9400000E-02
 C   -3.354000      9.4400004E-02  1.2400000E-02
 C    2.672300       1.632200     -4.2399999E-02
 C   -2.363400      -2.516900      2.7999999E-03
 C   -4.234300     -0.9879000      1.9300001E-02
 C   -3.740100      -2.290600      1.4800000E-02
 H    2.673300      -1.768500     -3.4299999E-02
 H   0.9381000       2.884500     -2.4300000E-02
 H    3.340100       2.489100     -4.0899999E-02
 H   -2.003400      -3.542100     -8.9999998E-04
 H   -5.311200     -0.8346000      2.8800000E-02
 H   -4.427500      -3.131700      2.0400001E-02
 H    6.313700     -0.1752000       1.649400    


%chk=000022984-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022984

0 1
S 5.013503 0.040601 -0.153620
O -1.484258 2.265751 0.000522
O 0.428857 -2.901482 -0.044158
O 5.210998 -0.035404 1.688382
O 5.328426 -1.414713 -0.781464
O 5.751417 1.367977 -0.710360
O -4.295807 1.938091 1.197629
O -4.337943 1.942494 -1.090233
N -4.021817 1.437963 0.047289
C 0.916552 -0.541469 -0.050646
C 0.420513 0.793157 -0.036924
C -1.982836 -0.093143 0.005794
C -1.484850 -1.431957 -0.006259
C -1.050747 1.074488 -0.008974
C -0.012498 -1.712849 -0.035161
C 2.313008 -0.778734 -0.075086
C 3.155956 0.334099 -0.089993
C 1.318356 1.889286 -0.056433
C -3.389504 0.084282 0.032976
C 2.708856 1.668150 -0.080674
C -2.373875 -2.532386 0.008573
C -4.281150 -1.004721 0.047861
C -3.766198 -2.320177 0.035519
H 2.691513 -1.806122 -0.094565
H 0.905808 2.902481 -0.049006
H 3.426368 2.493961 -0.106815
H -1.947769 -3.539864 -0.001586
H -5.360382 -0.824950 0.068658
H -4.455072 -3.169976 0.046860
H 6.177676 -0.203434 1.890195


