%chk=000050604.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050604

0 1
 S   -2.780900      0.1573000       1.629000    
 O    3.968100      -2.336600     -0.8530000    
 O   -5.707900      0.4973000      -1.012900    
 O   -5.732800      9.8600000E-02   1.256400    
 C    1.096000     -0.5007000      0.3278000    
 C    1.623600      0.8166000      0.3759000    
 C    1.870900      -1.600500     -8.7600000E-02
 C  -0.2520000     -0.7457000      0.7046000    
 C    3.035100       1.053900     -2.2600001E-02
 C    3.841200     -2.2100000E-02 -0.4440000    
 C    3.279200      -1.391500     -0.4893000    
 C   -1.059800      0.3154000       1.124000    
 C   0.7709000       1.852100      0.8054000    
 C    1.340200      -2.896100     -0.1313000    
 C  -0.7716000      -2.048700      0.6562000    
 C  -0.5510000       1.605900       1.174000    
 C    3.638600       2.326600     -6.5000001E-03
 C   1.9600000E-02  -3.116200      0.2410000    
 C    5.178600      0.1639000     -0.8283000    
 C    4.971400       2.515500     -0.3896000    
 C    5.740600       1.435100     -0.7999000    
 C   -3.633400      0.3953000      4.8500001E-02
 C   -5.129700      0.3054000      0.2126000    
 C   -7.138200      0.4448000      -1.036300    
 C   -7.616800      0.6743000      -2.454100    
 H    1.109900       2.882200      0.8658000    
 H    1.940000      -3.743400     -0.4522000    
 H   -1.795000      -2.283300      0.9350000    
 H   -1.161500       2.446700       1.496900    
 H    3.092600       3.212800      0.3039000    
 H  -0.3946000      -4.119600      0.2082000    
 H    5.795200     -0.6702000      -1.152400    
 H    5.404200       3.511700     -0.3650000    
 H    6.774600       1.581800      -1.096900    
 H   -3.383300       1.384600     -0.3467000    
 H   -3.310700     -0.3797000     -0.6532000    
 H   -7.473100     -0.5383000     -0.6871000    
 H   -7.542800       1.222000     -0.3785000    
 H   -8.708500      0.6405000      -2.508700    
 H   -7.274000       1.646300      -2.824000    
 H   -7.205300     -8.4899999E-02  -3.127400    


%chk=000050604-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050604

0 1
S -2.817693 0.409878 1.815006
O 3.826927 -2.389851 -1.116339
O -5.694648 0.404415 -1.045408
O -5.759330 0.011270 1.255525
C 1.053678 -0.395459 0.340710
C 1.683842 0.899414 0.449306
C 1.772059 -1.528582 -0.179980
C -0.321501 -0.579688 0.765237
C 3.089601 1.066755 0.012495
C 3.813318 -0.048736 -0.517535
C 3.184842 -1.394439 -0.639446
C -1.058421 0.556475 1.261148
C 0.928655 1.964236 0.975470
C 1.155120 -2.789563 -0.261151
C -0.905078 -1.885098 0.685162
C -0.426512 1.798519 1.370238
C 3.767383 2.316473 0.097414
C -0.181018 -2.970956 0.179538
C 5.159620 0.099335 -0.941865
C 5.102218 2.454297 -0.324547
C 5.808110 1.341181 -0.849171
C -3.605217 0.380985 0.087124
C -5.113187 0.242253 0.210893
C -7.187983 0.268378 -1.101931
C -7.592209 0.473102 -2.557326
H 1.371099 2.958387 1.082766
H 1.742777 -3.621423 -0.662854
H -1.926361 -2.017966 1.059969
H -0.989034 2.653317 1.757365
H 3.254662 3.196590 0.496042
H -0.641963 -3.962785 0.132455
H 5.665321 -0.786359 -1.339165
H 5.596975 3.428705 -0.246349
H 6.847004 1.451546 -1.176809
H -3.350731 1.310418 -0.446641
H -3.196609 -0.469221 -0.485834
H -7.456096 -0.733435 -0.720814
H -7.626747 1.024114 -0.425979
H -8.689277 0.381736 -2.655168
H -7.294340 1.473956 -2.913395
H -7.121657 -0.283071 -3.208456


