%chk=000046989.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046989

0 1
 S  -0.9240000       1.721900      3.9999999E-04
 O    3.838600      0.2590000       0.000000    
 O    2.338100      -1.497800     -6.0000003E-04
 C   -2.362900      0.6691000      9.9999997E-05
 C   -2.925400      0.2573000       1.208000    
 C   -2.925600      0.2581000      -1.208000    
 C    4.934600     -0.6619000     -9.9999997E-05
 C   -4.051200     -0.5663000       1.207900    
 C   -4.051400     -0.5655000      -1.208000    
 C   -4.614200     -0.9776000       0.000000    
 C    6.232800      0.1168000      3.0000001E-04
 C   0.3016000      0.5004000      9.9999997E-05
 C    1.608000      0.7919000      1.9999999E-04
 C    2.600900     -0.3056000     -3.0000001E-04
 H    4.881000      -1.293100      0.8940000    
 H    4.881300      -1.292700     -0.8944000    
 H   -2.500800      0.5676000       2.159700    
 H   -2.501300      0.5690000      -2.159600    
 H   -4.489500     -0.8873000       2.148300    
 H   -4.490100     -0.8859000      -2.148500    
 H   -5.490800      -1.618800     -9.9999997E-05
 H    7.093500     -0.5578000      1.9999999E-04
 H    6.292700      0.7665000     -0.8791000    
 H    6.292400      0.7662000      0.8799000    
 H  -1.9099999E-02 -0.5372000     -3.0000001E-04
 H    1.970900       1.814900      6.0000003E-04


%chk=000046989-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046989

0 1
S -0.984455 1.757611 -0.000648
O 3.960552 0.299731 0.000123
O 2.446654 -1.487081 0.000385
C -2.465384 0.641173 -0.000391
C -3.034006 0.240046 1.229196
C -3.035910 0.242076 -1.229751
C 5.078729 -0.688067 0.000483
C -4.184767 -0.582699 1.225024
C -4.186690 -0.580646 -1.225151
C -4.760325 -0.993349 0.000042
C 6.375587 0.115280 0.000378
C 0.335026 0.524551 -0.000279
C 1.663069 0.835476 -0.000221
C 2.665816 -0.246674 0.000114
H 4.978115 -1.330336 0.894535
H 4.978268 -1.330820 -0.893238
H -2.583728 0.565627 2.172227
H -2.587063 0.569169 -2.172940
H -4.627446 -0.899409 2.175492
H -4.630850 -0.895778 -2.175453
H -5.651823 -1.630083 0.000209
H 7.242078 -0.571074 0.000645
H 6.440939 0.757533 -0.894544
H 6.440778 0.758027 0.894957
H 0.009649 -0.522679 -0.000087
H 2.037287 1.863596 -0.000407


