%chk=000044266.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044266

0 1
 S   -2.214700      -3.317300       1.180200    
 C   0.5913000      0.3603000     -3.0500000E-02
 C   3.7200000E-02 -0.9337000     -0.1889000    
 C   -1.355800      -1.115300     -0.2426000    
 C   -2.243700     -3.5700001E-02 -0.1420000    
 C    2.023600      0.5097000      2.0199999E-02
 C   -1.722400       1.260900      1.7000001E-02
 C  -0.3264000       1.437400      6.9700003E-02
 C    2.844800     -0.6428000     -8.8799998E-02
 C   0.8785000      -2.044600     -0.2934000    
 C    2.261000      -1.901900     -0.2438000    
 C   -1.920100      -2.502400     -0.4121000    
 C   -3.636000     -0.2189000     -0.1958000    
 C    2.690400       1.751400      0.1740000    
 C   -2.608000       2.347700      0.1196000    
 C    4.245000     -0.5316000     -4.2700000E-02
 C   -4.501900      0.8695000     -9.2900001E-02
 C   -3.988200       2.152400      6.4700000E-02
 C    4.083900       1.848500      0.2181000    
 C    4.861500      0.7062000      0.1100000    
 H   4.3099999E-02   2.454000      0.1935000    
 H   0.5330000      -3.067300     -0.3905000    
 H    2.879300      -2.794400     -0.3233000    
 H   -2.847500      -2.510700     -0.9914000    
 H   -1.292900      -3.144100      -1.036700    
 H   -4.116000      -1.185800     -0.2959000    
 H    2.134100       2.680900      0.2638000    
 H   -2.227800       3.359700      0.2435000    
 H    4.873300      -1.416700     -0.1263000    
 H   -5.576400      0.7156000     -0.1310000    
 H   -4.660400       3.001500      0.1463000    
 H    4.555700       2.819500      0.3373000    
 H    5.944400      0.7762000      0.1438000    
 H   -3.113800      -2.440200       1.649500    


%chk=000044266-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044266

0 1
S -2.288356 -3.576144 1.062125
C 0.577721 0.333335 -0.047485
C 0.014379 -1.002710 -0.204134
C -1.399097 -1.186335 -0.298924
C -2.282669 -0.059816 -0.171000
C 2.040301 0.507534 0.009089
C -1.713292 1.266417 0.006878
C -0.304098 1.426063 0.047712
C 2.890390 -0.651565 -0.056012
C 0.925667 -2.132756 -0.241169
C 2.291817 -1.965321 -0.168096
C -1.985161 -2.554987 -0.541702
C -3.720047 -0.173536 -0.189253
C 2.664650 1.785467 0.126077
C -2.585613 2.403109 0.134601
C 4.308380 -0.502375 -0.000366
C -4.538626 0.947051 -0.054129
C -3.968938 2.253436 0.104913
C 4.061508 1.916427 0.177560
C 4.894456 0.765282 0.114694
H 0.084295 2.442232 0.169618
H 0.519291 -3.145925 -0.291563
H 2.955957 -2.837660 -0.186439
H -2.943008 -2.505530 -1.076785
H -1.316264 -3.204992 -1.123790
H -4.190378 -1.155319 -0.302826
H 2.055584 2.693119 0.174779
H -2.136721 3.395575 0.260566
H 4.935867 -1.400217 -0.049353
H -5.628083 0.831800 -0.067428
H -4.625646 3.124069 0.205594
H 4.511593 2.911302 0.265937
H 5.983720 0.872115 0.155674
H -2.961480 -2.571147 1.737236


