%chk=000076982.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076982

0 1
 S    1.199400       1.870500      2.0999999E-03
 S    3.160600       1.304200      8.8000000E-03
 S    4.144300      -1.540900     -1.0500000E-02
 C  -0.8573000      6.5200001E-02  2.0999999E-03
 C   0.5974000      0.2528000      5.2000000E-03
 C   -1.550700     -3.0900000E-02   1.208600    
 C   -1.547600     -1.6400000E-02  -1.207300    
 C    1.452100     -0.7777000      3.0000001E-04
 C   -2.934200     -0.2088000       1.205800    
 C   -2.931000     -0.1941000      -1.210100    
 C   -3.624300     -0.2904000     -3.5000001E-03
 C    2.891300     -0.4335000     -1.5000000E-03
 H   -1.027600      3.0400001E-02   2.160000    
 H   -1.022200      5.6200001E-02  -2.156600    
 H    1.136400      -1.814400     -2.4999999E-03
 H   -3.474200     -0.2839000       2.145200    
 H   -3.468600     -0.2577000      -2.151700    
 H   -4.701500     -0.4289000     -5.7999999E-03


%chk=000076982-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000076982

0 1
S 1.212602 1.480985 -1.357673
S 3.416442 0.922890 -0.832029
S 4.229160 -1.207473 1.082967
C -0.869383 0.018090 -0.163285
C 0.597223 0.169483 -0.254549
C -1.463594 -0.498626 1.024664
C -1.716664 0.387117 -1.246362
C 1.524181 -0.591976 0.444327
C -2.861431 -0.646699 1.118815
C -3.115160 0.241148 -1.146325
C -3.693709 -0.278145 0.034992
C 2.938986 -0.389756 0.323088
H -0.832935 -0.752091 1.883270
H -1.275150 0.760935 -2.178003
H 1.187870 -1.406287 1.093109
H -3.303741 -1.039298 2.040618
H -3.752120 0.523575 -1.991125
H -4.780277 -0.392174 0.112101


