%chk=000003196.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003196

0 1
 S    3.392600      -1.966000      0.1593000    
 O   -5.226000      -1.781200     -0.6816000    
 O   -5.174800      0.2912000      0.2826000    
 O    4.504900      -1.618700       1.304400    
 O    2.653900      -3.130600      0.6208000    
 O    4.057400      -1.969500      -1.133200    
 C   -1.343100      7.2899997E-02   1.242000    
 C   -2.322000       1.177400      0.7308000    
 C   -2.747200      0.9789000     -0.7459000    
 C   -3.308200     -0.4183000      -1.047800    
 C   -1.976900      -1.312300      0.9259000    
 C   -2.348700      -1.504000     -0.5443000    
 C   -1.726300       2.576800      0.9315000    
 C   6.8700001E-02  0.2765000      0.6680000    
 C  -0.4062000       2.754600      0.1909000    
 C   -1.204200      0.1548000       2.785300    
 C   0.4964000       1.545400      0.2165000    
 C   -3.530400     -0.5789000      -2.558300    
 C   -4.663800     -0.5801000     -0.4047000    
 C    1.000500     -0.7802000      0.6474000    
 C    1.803700       1.708800     -0.2781000    
 C    2.296700     -0.6012000      0.1601000    
 C    2.697400      0.6426000     -0.3076000    
 C    4.074000      0.8710000     -0.8394000    
 C    4.863100       1.896300     -4.6999999E-03
 C    4.068600       1.293700      -2.320000    
 H   -3.224000       1.139200       1.353500    
 H   -3.482300       1.750900      -1.011600    
 H   -1.888200       1.149300      -1.406200    
 H   -2.889700      -1.429600       1.526900    
 H   -1.331000      -2.139200       1.239500    
 H   -1.433200      -1.498200      -1.149500    
 H   -2.785000      -2.503300     -0.6666000    
 H   -1.569300       2.763300       2.000400    
 H   -2.435300       3.346100      0.6012000    
 H   0.1207000       3.614000      0.6242000    
 H  -0.6112000       3.003700     -0.8580000    
 H  -0.6880000       1.063800       3.112400    
 H   -2.185400      0.1333000       3.273000    
 H  -0.6262000     -0.6916000       3.176600    
 H   -2.602400     -0.4003000      -3.113500    
 H   -3.874600      -1.585900      -2.820800    
 H   -4.280600      0.1305000      -2.927600    
 H   0.7085000      -1.749200       1.037600    
 H    2.105400       2.690000     -0.6388000    
 H    4.725600      7.4000000E-03 -0.7850000    
 H   -6.106600      -1.879200     -0.2608000    
 H    4.415700       2.895100     -4.9500000E-02
 H    5.893200       1.980800     -0.3689000    
 H    4.903100       1.593700       1.047800    
 H    3.544600      0.5526000      -2.933600    
 H    5.093000       1.378400      -2.699300    
 H    3.580500       2.262400      -2.470800    
 H    4.151100      -1.507900       2.218100    


%chk=000003196-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003196

0 1
S 3.302581 -2.107018 0.122153
O -5.187601 -1.891530 -0.415735
O -5.427536 0.349446 0.096534
O 4.482122 -1.589937 1.473705
O 2.422887 -3.362308 0.642860
O 4.166243 -2.281705 -1.238683
C -1.391994 0.110166 1.257128
C -2.373540 1.209177 0.724403
C -2.767566 0.983308 -0.760862
C -3.351264 -0.421876 -1.061033
C -2.006142 -1.290111 0.943753
C -2.359790 -1.503438 -0.541057
C -1.777748 2.623489 0.919004
C 0.012718 0.308938 0.647577
C -0.456461 2.799707 0.138042
C -1.245063 0.214259 2.808259
C 0.465320 1.586078 0.194566
C -3.578326 -0.599137 -2.592350
C -4.724182 -0.564789 -0.391496
C 0.935279 -0.762116 0.615316
C 1.800590 1.742571 -0.249397
C 2.241222 -0.550195 0.149709
C 2.750668 0.692076 -0.286792
C 4.183984 0.946802 -0.763852
C 4.860343 2.064914 0.071444
C 4.208863 1.271441 -2.281284
H -3.299004 1.139898 1.329505
H -3.499613 1.760200 -1.052244
H -1.880438 1.105527 -1.412670
H -2.925109 -1.392225 1.556961
H -1.332792 -2.097805 1.286612
H -1.442676 -1.441243 -1.159482
H -2.789378 -2.509607 -0.689296
H -1.603508 2.806187 1.995421
H -2.508149 3.385040 0.585378
H 0.085968 3.692021 0.505287
H -0.681546 3.008815 -0.927978
H -0.743318 1.146127 3.120637
H -2.239571 0.175917 3.291878
H -0.643116 -0.629035 3.194583
H -2.612860 -0.491854 -3.119547
H -3.989818 -1.597842 -2.818480
H -4.272037 0.165713 -2.986989
H 0.651058 -1.764996 0.948268
H 2.123111 2.738112 -0.579301
H 4.776277 0.027234 -0.617872
H -6.097730 -1.922299 -0.013127
H 4.353633 3.039750 -0.055420
H 5.909637 2.189890 -0.252759
H 4.859445 1.810190 1.145851
H 3.792053 0.435607 -2.869840
H 5.249696 1.437741 -2.613943
H 3.628418 2.184821 -2.510225
H 5.174260 -2.310092 1.547477


