%chk=000018609.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018609

0 1
 S   0.2102000      -1.553100       3.302800    
 S  -0.1646000       3.747800      0.7950000    
 P   0.2874000     -0.7772000       1.521600    
 P  -0.2673000       1.878600      0.2692000    
 O   1.6300000E-02  0.8207000       1.465200    
 O    1.708500     -0.8950000      0.7429000    
 O  -0.7550000      -1.348600      0.4139000    
 O   -1.703100       1.362700     -0.2897000    
 O   0.7500000       1.374500     -0.8933000    
 C    2.901500     -0.4848000       1.388400    
 C  -0.6105000      -2.672800     -7.0900001E-02
 C   -2.881000       1.612300      0.4578000    
 C   0.5854000       1.839500      -2.222400    
 C    3.966600     -0.2248000      0.3342000    
 C   -1.708000      -2.946700      -1.087900    
 C   -3.962500      0.6409000      1.0400000E-02
 C    1.661900       1.216600      -3.098000    
 C    5.283000      0.2060000      0.9555000    
 C   -1.625300      -4.357700      -1.641800    
 C   -5.263900      0.8598000      0.7607000    
 C    1.570500     -0.2987000      -3.113600    
 H    3.224600      -1.278600       2.069400    
 H    2.714100      0.4245000       1.969500    
 H  -0.6829000      -3.374300      0.7662000    
 H   0.3748000      -2.781400     -0.5354000    
 H   -3.198600       2.644800      0.2808000    
 H   -2.675500       1.484400       1.526100    
 H   0.6786000       2.929600      -2.240100    
 H  -0.4109000       1.567200      -2.585100    
 H    4.116400      -1.128200     -0.2691000    
 H    3.614600      0.5464000     -0.3610000    
 H   -2.688200      -2.787000     -0.6231000    
 H   -1.640400      -2.219300      -1.905900    
 H   -4.130900      0.7481000      -1.067800    
 H   -3.616200     -0.3885000      0.1602000    
 H    1.569700       1.600300      -4.119800    
 H    2.651900       1.501000      -2.722900    
 H    5.161500       1.129600       1.530200    
 H    5.672200     -0.5673000       1.625400    
 H    6.029200      0.3871000      0.1756000    
 H  -0.6673000      -4.526100      -2.144200    
 H   -1.730100      -5.099400     -0.8435000    
 H   -2.424900      -4.526900      -2.369700    
 H   -5.124400      0.7180000       1.837100    
 H   -5.647600       1.871300      0.5938000    
 H   -6.022400      0.1482000      0.4200000    
 H    1.734800     -0.7232000      -2.118800    
 H   0.5892000     -0.6296000      -3.469000    
 H    2.330300     -0.7150000      -3.782500    


%chk=000018609-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018609

0 1
S 1.474537 -1.323197 3.438200
S -1.649603 3.552866 1.305467
P 0.462714 -0.802158 1.727135
P -0.569967 1.993189 0.514379
O -0.049795 0.853742 1.721887
O 1.248697 -1.088819 0.218258
O -1.055668 -1.541070 1.383690
O -1.287146 1.060394 -0.744945
O 0.951436 2.317820 -0.224503
C 2.685346 -0.700457 0.057643
C -1.184948 -3.018422 1.569959
C -2.703965 0.598578 -0.590202
C 1.157634 3.654539 -0.868233
C 3.160897 -1.341624 -1.246908
C -2.650539 -3.361571 1.298040
C -3.024630 -0.194124 -1.858035
C 2.581853 3.650579 -1.426320
C 4.638263 -0.987648 -1.532375
C -2.908581 -4.876448 1.463399
C -4.476581 -0.723573 -1.831015
C 2.784105 2.649178 -2.582367
H 3.261736 -1.069101 0.929092
H 2.737766 0.402962 0.012882
H -0.891024 -3.276946 2.605852
H -0.509215 -3.529181 0.857369
H -3.358661 1.484242 -0.476585
H -2.769877 -0.040500 0.309098
H 1.015445 4.438321 -0.101184
H 0.407672 3.786745 -1.671805
H 3.035885 -2.438129 -1.177567
H 2.515562 -0.991402 -2.073633
H -3.287613 -2.786220 1.994973
H -2.910427 -3.040626 0.271574
H -2.869971 0.454288 -2.740334
H -2.309003 -1.032687 -1.939230
H 2.801534 4.680615 -1.772610
H 3.283775 3.436659 -0.598056
H 4.777397 0.105171 -1.630298
H 5.302090 -1.343358 -0.722487
H 4.975185 -1.455634 -2.474108
H -2.293589 -5.470121 0.761715
H -2.674635 -5.214430 2.489965
H -3.968598 -5.113587 1.265107
H -4.648083 -1.384681 -0.960531
H -5.207485 0.104424 -1.775137
H -4.695602 -1.304780 -2.744204
H 2.532964 1.624296 -2.259296
H 2.133493 2.899028 -3.441210
H 3.830918 2.658558 -2.936106


