%chk=000066272.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066272

0 1
 S  -0.3351000     -0.7857000      -1.597500    
 S   -2.483700      -3.538700      -1.746600    
 P   -1.960700      -1.896000     -0.8223000    
 O   -1.421100       2.250900      0.5422000    
 O   -1.713100      -2.097800      0.7787000    
 O    3.597700      0.5121000     -0.3800000    
 O   -3.214600     -0.8528000     -0.7472000    
 O   -1.527300       1.999400      -1.745800    
 O    2.163400     -0.4802000       1.129500    
 C  -7.8400001E-02  0.5673000     -0.3981000    
 C    1.339400       1.136500     -0.4939000    
 C   -1.093700       1.666500     -0.6507000    
 C    2.380300      0.2786000      0.1948000    
 C   -2.349600       3.337200      0.4636000    
 C  -0.6809000      -2.955300       1.236300    
 C    4.695200     -0.2112000      0.1858000    
 C   -2.604900       3.869400       1.857500    
 C  -0.6752000      -2.956100       2.750100    
 C    5.962600      0.1558000     -0.5563000    
 H  -0.2638000      0.1492000      0.5966000    
 H    1.385500       2.119500     -8.1000002E-03
 H    1.621400       1.287100      -1.543800    
 H   -1.930400       4.130800     -0.1648000    
 H   -3.288900       2.982900      2.4700001E-02
 H  -0.8547000      -3.971100      0.8701000    
 H   0.2829000      -2.605600      0.8563000    
 H    4.797600      5.0200000E-02   1.245000    
 H    4.510100      -1.287100      9.2799999E-02
 H   0.1104000      -3.610600       3.137700    
 H   -1.641400      -3.293600       3.139500    
 H  -0.5130000      -1.943500       3.134300    
 H   -3.007300       3.081600       2.502900    
 H   -1.671200       4.210500       2.316800    
 H   -3.312400       4.703000       1.834400    
 H   -3.053600      7.0000000E-02 -0.4609000    
 H    5.868700     -8.2999997E-02  -1.620800    
 H    6.151400       1.232300     -0.4876000    
 H    6.823900     -0.3807000     -0.1486000    


%chk=000066272-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000066272

0 1
S -0.494485 -0.276493 -1.599328
S -2.132726 -3.482739 -2.485941
P -2.024256 -2.007198 -1.065020
O -1.206857 2.834236 0.440506
O -1.471160 -2.427366 0.532495
O 3.263078 0.501179 0.144118
O -3.447113 -1.194222 -0.667115
O -2.803136 1.191183 0.189554
O 1.804308 -0.988207 1.182388
C -0.420741 0.560357 0.130218
C 0.972723 1.177125 0.327283
C -1.584128 1.529982 0.249927
C 2.015123 0.100830 0.597351
C -2.314182 3.852943 0.547884
C -0.391901 -3.455768 0.666807
C 4.396360 -0.452090 0.387194
C -1.645065 5.203120 0.767553
C -0.170741 -3.641318 2.163746
C 5.647031 0.195596 -0.195400
H -0.578315 -0.271186 0.845918
H 0.949554 1.854909 1.203178
H 1.281571 1.792329 -0.532563
H -2.898656 3.806682 -0.387550
H -2.967481 3.551665 1.385240
H -0.733845 -4.382754 0.169832
H 0.522583 -3.081284 0.171073
H 4.471437 -0.626382 1.475729
H 4.145123 -1.410337 -0.101492
H 0.592796 -4.424647 2.327369
H -1.104119 -3.950954 2.663628
H 0.195090 -2.704826 2.615169
H -1.054469 5.208588 1.699311
H -0.978049 5.457496 -0.073257
H -2.419326 5.987699 0.844531
H -3.306585 -0.249613 -0.278012
H 5.529713 0.376043 -1.277326
H 5.860973 1.158841 0.298203
H 6.515375 -0.471619 -0.046599


