%chk=000127198.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127198

0 1
 S    1.983900     -0.4622000       1.003100    
 S   -1.795100     -0.2649000     -0.7301000    
 S    3.628100      -1.075800     -0.1383000    
 S   -3.396700      -1.409200     -1.6000001E-02
 O    4.323200      -2.241800      0.7643000    
 O   -3.426200      -2.708400      -1.000100    
 O    3.114000      -1.693200      -1.345800    
 O    4.549500      4.1800000E-02 -0.2099000    
 O   -3.045700      -1.865500       1.315100    
 O   -4.610200     -0.6487000     -0.2447000    
 N  -0.4271000       2.603100     -0.3453000    
 C  -1.3200000E-02   1.499100      0.5316000    
 C    1.249200      0.8327000     -4.6300001E-02
 C   -1.215500      0.5711000      0.7786000    
 C   0.6761000       3.541700     -0.5290000    
 C   -1.594100       3.280100      0.2128000    
 H   0.2630000       1.913300       1.513600    
 H    1.060400      0.4117000      -1.039400    
 H    2.067700       1.548500     -0.1500000    
 H  -0.9077000     -0.2161000       1.475800    
 H   -2.053900       1.064400       1.278900    
 H    1.433300       3.156200      -1.218900    
 H    1.148700       3.835500      0.4154000    
 H   0.3214000       4.460800      -1.012600    
 H   -1.795300       4.208700     -0.3365000    
 H   -1.463800       3.551100       1.267000    
 H   -2.514300       2.700300      9.3800001E-02
 H    4.605400      -1.964200       1.667300    
 H   -3.536300      -2.508700      -1.959300    


%chk=000127198-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127198

0 1
S 1.598380 -1.426138 0.068747
S -2.252593 1.126592 -0.318786
S 3.781113 -0.363563 0.593880
S -3.684134 -1.048755 -0.165581
O 4.094877 -1.043284 2.276142
O -3.701628 -1.261994 -2.037618
O 5.029206 -0.900523 -0.253921
O 3.468759 1.229541 0.688263
O -2.710033 -2.209884 0.453143
O -5.239557 -1.083126 0.306140
N -0.331027 2.336249 -0.148729
C 0.229557 1.023482 0.420214
C 0.855779 0.132656 -0.666653
C -1.057060 0.379800 0.969390
C 0.223579 2.860601 -1.423247
C -0.467430 3.394981 0.891928
H 0.991896 1.255840 1.186137
H 0.082846 -0.233055 -1.373468
H 1.651701 0.637543 -1.236325
H -1.093888 -0.723220 0.926498
H -1.335835 0.720254 1.977667
H 0.123273 2.110340 -2.221077
H 1.287924 3.150052 -1.310509
H -0.358947 3.749942 -1.714867
H -1.105833 4.204212 0.503162
H 0.526283 3.806484 1.161411
H -0.945121 2.978439 1.791768
H 3.380743 -0.705076 2.892801
H -4.414030 -1.936991 -2.241409


