%chk=000045145.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045145

0 1
 S   -3.245000     -0.7315000     -0.8720000    
 S  -3.3000000E-02  0.2118000     -0.3125000    
 S   -1.518500      -2.138500       1.815700    
 P   -1.413800      -1.379600      7.4000000E-03
 O    3.884200      2.2399999E-02  0.1606000    
 O    2.504400       1.747200     -0.4953000    
 C   -3.895900      0.5439000      0.2260000    
 C   -5.217100       1.085600     -0.3084000    
 C  -0.8530000      -2.652400      -1.173400    
 C   -5.780300       2.160000      0.6102000    
 C    1.603000     -0.4527000      5.4699998E-02
 C    2.675100      0.5903000     -0.1373000    
 C    5.020200      0.8837000      3.0800000E-02
 C    6.269700      0.1098000      0.3935000    
 H   -3.159000       1.349000      0.3084000    
 H   -4.038300      0.1139000       1.222300    
 H   -5.077800       1.515200      -1.308000    
 H   -5.953800      0.2779000     -0.3972000    
 H  -0.7627000      -2.229600      -2.178200    
 H   0.1199000      -3.052500     -0.8739000    
 H   -1.571100      -3.477400      -1.207000    
 H   -5.087500       3.003000      0.6988000    
 H   -6.727500       2.539000      0.2138000    
 H   -5.966900       1.761100       1.612400    
 H    1.622400     -0.7939000       1.093300    
 H    1.805400      -1.290600     -0.6175000    
 H    5.092100       1.239700      -1.002900    
 H    4.907100       1.740700      0.7040000    
 H    7.159300      0.7396000      0.3051000    
 H    6.204700     -0.2684000       1.419100    
 H    6.386600     -0.7612000     -0.2597000    


%chk=000045145-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045145

0 1
S -2.873291 -0.613208 -1.458390
S 0.653562 -1.848203 -1.819084
S -1.394113 -2.915576 1.046882
P -1.474822 -2.334721 -0.958509
O 3.061475 0.246483 0.265798
O 0.790449 0.764286 0.221321
C -2.583819 0.454777 0.099351
C -3.575115 1.631576 0.075501
C -2.042448 -3.635400 -2.174317
C -3.387564 2.518799 1.329256
C 1.552351 -1.550832 -0.193516
C 1.715202 -0.073079 0.106268
C 3.364700 1.676624 0.598077
C 4.880848 1.790301 0.709467
H -1.534439 0.789495 0.079082
H -2.748257 -0.203701 0.969892
H -3.415502 2.238540 -0.835977
H -4.614010 1.251357 0.037029
H -1.996916 -3.224668 -3.196033
H -1.373553 -4.504716 -2.086997
H -3.076437 -3.921356 -1.927639
H -2.361242 2.926438 1.376742
H -4.093322 3.368951 1.314536
H -3.567419 1.942784 2.255714
H 0.931593 -2.025121 0.601296
H 2.524047 -2.060226 -0.256367
H 2.946617 2.310185 -0.204775
H 2.847175 1.927995 1.541461
H 5.159726 2.832366 0.950157
H 5.269344 1.134108 1.506776
H 5.368079 1.511243 -0.240200


