%chk=000002634.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002634

0 1
 S   -1.368800      0.4875000      -2.142100    
 S   -5.934200      4.5699999E-02 -0.7129000    
 S    4.780400       1.367700      3.5900000E-02
 S    5.490500     -0.7917000      -1.292400    
 O  -0.5555000      -2.947500      0.8833000    
 O   -2.681300      -1.365000       2.629700    
 O    2.578600      0.2606000      -1.951100    
 O   -4.333900      -2.093000       1.226400    
 O    8.689300       1.492100       1.941100    
 O    8.076900      -1.669100     -0.4563000    
 O    7.114600       2.797100      0.9576000    
 N   -1.403300     -0.8784000      0.1343000    
 N    1.800300      -1.061700     -0.2203000    
 N   -8.669500      0.4135000     -0.5181000    
 N   -7.548800       1.682100      0.8374000    
 N   -9.592900       1.125100      0.1433000    
 N   -8.901500       1.899000      0.9711000    
 N    9.717700     -7.7299997E-02 -0.3678000    
 C  -0.5269000     -9.9999997E-05 -0.6191000    
 C   0.4339000      -1.205100     -0.7215000    
 C  -0.5312000      -1.899200      0.2817000    
 C   -2.679200     -0.5612000      0.4740000    
 C   -3.330600      0.4721000     -0.1109000    
 C   -2.743600       1.295800      -1.254900    
 C   -4.716200      0.9369000      0.2687000    
 C    2.782700     -0.3279000     -0.8852000    
 C   -3.343100      -1.429600       1.457600    
 C    4.138900     -0.3302000     -0.1563000    
 C    6.180500      0.3871000     -0.2310000    
 C   -7.427900      0.7591000     -8.8900000E-02
 C    7.436900      0.5393000      0.1931000    
 C    8.421800     -0.5122000     -0.2273000    
 C    7.712900       1.735000       1.037600    
 C   -9.067400     -0.5465000      -1.516500    
 H  -0.1474000      0.8337000     -1.5699999E-02
 H   0.4362000      -1.725000      -1.689200    
 H   -3.510300       1.501000      -2.009000    
 H   -2.395400       2.259000     -0.8656000    
 H    2.060700      -1.515600      0.6520000    
 H   -4.812600       2.017400      0.1114000    
 H   -4.903400      0.7599000       1.333800    
 H    4.138400     -0.9053000      0.7785000    
 H   -3.091900      -1.931600       3.317200    
 H   -8.711200      -1.533400      -1.211400    
 H   -10.15760     -0.5577000      -1.598400    
 H   -8.629600     -0.2542000      -2.474000    
 H    9.995300      0.8837000     -0.1952000    
 H    10.45160     -0.7149000     -0.6580000    
 H    8.865900       2.271400       2.510200    


%chk=000002634-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002634

0 1
S -1.914603 1.653420 -0.033001
S -6.330228 -0.878255 -0.346083
S 5.160511 1.574201 1.049327
S 5.222961 -1.068546 -0.004348
O -0.420372 -2.758504 -0.309329
O -2.424180 -3.394183 1.763661
O 2.570718 1.052137 -0.770544
O -4.577117 -3.093906 0.942229
O 9.424038 2.059796 -0.588699
O 7.403286 -1.637298 -1.133785
O 7.572678 2.863583 0.557551
N -1.635625 -0.972001 0.858003
N 1.561623 -0.330007 0.812621
N -7.692164 0.969050 -1.946639
N -6.471482 1.960617 -0.368854
N -7.874034 2.367038 -2.104697
N -7.133784 2.940124 -1.143127
N 9.361280 -0.460825 -1.547092
C -0.952006 0.343438 0.928800
C 0.267378 -0.292275 0.169958
C -0.570397 -1.618455 0.149779
C -3.015405 -1.205679 1.023663
C -3.921356 -0.158614 1.044524
C -3.526006 1.300166 0.897688
C -5.392559 -0.379139 1.276691
C 2.663957 0.332635 0.261141
C -3.442154 -2.623907 1.207760
C 3.962378 0.075145 1.001036
C 6.212628 0.423835 0.160574
C -6.840707 0.754677 -0.889482
C 7.504770 0.607489 -0.312177
C 8.099177 -0.555189 -1.024156
C 8.117266 1.908794 -0.066028
C -8.355810 0.016096 -2.837398
H -0.766008 0.692668 1.956505
H 0.402583 0.135246 -0.839960
H -4.320821 1.844461 0.353157
H -3.445701 1.768026 1.897885
H 1.686230 -0.916194 1.640926
H -5.892461 0.538946 1.620801
H -5.619169 -1.226212 1.937787
H 3.839852 -0.338810 2.014903
H -2.701418 -4.349393 1.785862
H -8.970885 -0.691050 -2.255172
H -9.000969 0.590237 -3.517731
H -7.612641 -0.548204 -3.426228
H 9.891567 0.409011 -1.451593
H 9.739071 -1.271458 -2.034809
H 9.744908 2.975669 -0.375100


