%chk=000002649.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002649

1 1
 S  -0.3225000      -1.402900       2.652300    
 S    4.216500       2.679600      0.4482000    
 O   0.6325000      -3.034000      -1.597600    
 O   -2.333500      -2.084400      -2.187000    
 O    3.126800      0.2257000       1.802100    
 O   -3.118000      -3.844100     -0.9548000    
 O    2.648800       3.124500      0.3891000    
 O    4.975500       3.517200     -0.4607000    
 O    4.603900       2.516200       1.836600    
 O   -6.732300       3.978300     -0.1624000    
 N  -0.5923000      -1.879500      5.4099999E-02
 N    2.351700     -0.6752000     -0.1896000    
 N   -4.792000     -0.4998000      0.6522000    
 N   -6.783700       3.031900      -2.250500    
 C   0.1208000     -0.9874000      0.9502000    
 C    1.415000      -1.627500      0.4023000    
 C   0.4839000      -2.324900     -0.6301000    
 C   -1.938100      -2.058400      7.9200000E-02
 C   -2.687400      -1.641600       1.127700    
 C   -2.092400      -1.037100       2.397400    
 C   -4.193100      -1.729700       1.194200    
 C    3.142600      0.1862000      0.5738000    
 C    4.025000       1.078400     -0.2778000    
 C   -2.536200      -2.782400      -1.052200    
 C    5.409700      0.5193000     -0.4965000    
 C   -5.074200     -0.4412000     -0.6564000    
 C   -5.037000      0.5207000       1.485200    
 C    6.104600      0.8162000      -1.668900    
 C    5.995000     -0.2940000      0.4741000    
 C   -5.640800      0.7052000      -1.195000    
 C   -5.602400       1.692300       1.002200    
 C   -5.906000       1.781100     -0.3529000    
 C    7.384400      0.2997000      -1.871100    
 C    7.274800     -0.8104000      0.2719000    
 C    7.969600     -0.5135000     -0.9008000    
 C   -6.499500       2.995600     -0.8884000    
 H  -1.9900000E-02  6.8400003E-02  0.6865000    
 H    1.922800      -2.348300       1.054300    
 H   -2.608800      -1.428500       3.279900    
 H   -2.223100      4.9800001E-02   2.384600    
 H    2.451600     -0.6371000      -1.201300    
 H   -4.599200      -2.576000      0.6308000    
 H   -4.554500      -1.870500       2.220000    
 H    3.541000       1.240800      -1.249600    
 H   -4.868200      -1.314800      -1.260700    
 H   -4.783700      0.3909000       2.530500    
 H   -2.719500      -2.532200      -2.969800    
 H    5.660100       1.446000      -2.434900    
 H    5.495300     -0.5366000       1.405900    
 H   -5.850300      0.6907000      -2.256600    
 H   -5.796300       2.510100       1.689200    
 H    2.063500       2.714500       1.068700    
 H    7.925200      0.5305000      -2.784200    
 H    7.732400      -1.440800       1.028700    
 H    8.966500     -0.9150000      -1.057700    
 H   -7.192200       3.870800      -2.650600    
 H   -6.622100       2.282300      -2.910700    


%chk=000002649-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002649

1 1
S -0.041995 -2.380712 2.271687
S 2.869840 1.647436 -0.396169
O 0.113652 -3.338666 -2.234292
O -2.201425 -1.726329 -2.568277
O 4.054493 -2.096414 0.749212
O -4.153513 -2.181127 -1.400231
O 1.767119 1.286773 1.141884
O 1.817206 1.246295 -1.594503
O 3.358006 3.191833 -0.287837
O -5.591962 4.351112 -1.238643
N -0.663927 -1.899970 -0.387407
N 2.466629 -1.436844 -0.834417
N -4.680280 -0.205262 0.636022
N -7.686299 3.382709 -1.537224
C 0.366680 -1.549929 0.622547
C 1.437531 -2.280940 -0.265678
C 0.257048 -2.652077 -1.221703
C -2.045629 -1.822755 -0.196085
C -2.576738 -1.606008 1.067070
C -1.740351 -1.551117 2.337107
C -4.072112 -1.431884 1.302098
C 3.704844 -1.339372 -0.209905
C 4.569729 -0.248926 -0.785605
C -2.916260 -1.943669 -1.415133
C 5.841802 0.166174 -0.275812
C -5.847569 -0.328344 -0.073839
C -4.063482 1.018958 0.768877
C 6.599885 1.114137 -1.053900
C 6.378828 -0.293703 0.979841
C -6.452889 0.798180 -0.650809
C -4.626970 2.163293 0.201902
C -5.850115 2.072168 -0.512856
C 7.843684 1.574138 -0.602908
C 7.626848 0.173533 1.416682
C 8.360829 1.104570 0.633989
C -6.373549 3.362449 -1.127216
H 0.524999 -0.470581 0.779534
H 1.900685 -3.154879 0.222248
H -2.268696 -2.072450 3.156731
H -1.586193 -0.503678 2.667245
H 2.162008 -0.664969 -1.461556
H -4.642664 -2.297371 0.929927
H -4.263620 -1.315088 2.383909
H 4.342955 0.025552 -1.826160
H -6.258550 -1.333053 -0.172241
H -3.123301 1.036774 1.322947
H -2.748252 -1.901195 -3.381325
H 6.192272 1.476505 -2.005160
H 5.810944 -1.027263 1.557778
H -7.367427 0.642587 -1.228645
H -4.132609 3.135086 0.285540
H 2.122988 1.835757 1.897988
H 8.414252 2.293680 -1.197350
H 8.041309 -0.183570 2.364464
H 9.334060 1.463461 0.986238
H -8.035386 4.243210 -1.963345
H -8.349063 2.626872 -1.374135


