%chk=000002670.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002670

-1 1
 S  -0.5013000     -0.1066000      -2.407600    
 S    6.561600       1.199800     -8.9100003E-02
 O  -7.8500003E-02  -3.352600      0.8959000    
 O   -4.100700       1.843100     -6.9799997E-02
 O    3.418100     -0.3777000      -1.794500    
 O   -3.480000      -2.801900      0.6496000    
 O   -2.914200      -1.312500       2.291200    
 O   -6.410500       1.841900     -1.7800000E-02
 N  -0.7929000      -1.326400     -7.0699997E-02
 N    2.423200      -1.580300     -7.7100001E-02
 C   0.1732000     -0.5108000     -0.7806000    
 C    1.113200      -1.735500     -0.7079000    
 C   3.4100000E-02  -2.348800      0.2322000    
 C   -2.093000     -0.9848000      0.1169000    
 C   -2.662000      1.5400000E-02 -0.5946000    
 C   -1.946500      0.7676000      -1.713900    
 C   -4.091100      0.4801000     -0.4371000    
 C    3.479000     -0.9042000     -0.6846000    
 C   -2.914300      -1.782500       1.123600    
 C    4.735800     -0.8541000      0.1611000    
 C    5.073400      0.5811000      0.4544000    
 C    4.317300       1.494500       1.126200    
 C   -5.335800       2.412400      0.1115000    
 C    4.977000       2.755100       1.203100    
 C    6.206600       2.734300      0.5825000    
 C   -5.191700       3.853500      0.4969000    
 H   0.5066000      0.3535000     -0.1931000    
 H    1.203400      -2.315900      -1.636100    
 H   -2.630900      0.9326000      -2.552800    
 H   -1.623100       1.748300      -1.348100    
 H    2.581500      -1.978000      0.8457000    
 H   -4.629000     -9.6500002E-02  0.3222000    
 H   -4.621300      0.3468000      -1.388500    
 H    5.528600      -1.369400     -0.3931000    
 H    4.601000      -1.393000       1.105600    
 H    3.342000       1.288500       1.548200    
 H    4.570400       3.632400       1.689100    
 H    6.913400       3.546900      0.4915000    
 H   -6.183500       4.293800      0.6339000    
 H   -4.642300       3.931300       1.438400    
 H   -4.675000       4.398600     -0.2969000    


%chk=000002670-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002670

-1 1
S -1.057520 -0.448763 -2.560613
S 5.166965 2.118079 -0.092674
O 0.581812 -2.748305 1.175941
O -4.419152 1.833506 0.244586
O 3.618431 -1.837026 -2.438451
O -3.251832 -1.179259 2.556280
O -1.039408 -0.459886 2.875991
O -5.752189 1.726429 -1.680270
N -0.570159 -0.832505 0.152305
N 2.557487 -0.817002 -0.622263
C 0.071590 -0.261987 -1.049631
C 1.220754 -1.311105 -0.898629
C 0.415394 -1.825759 0.361513
C -1.865918 -0.548508 0.640771
C -2.775666 0.022993 -0.226489
C -2.507056 0.424732 -1.672102
C -4.175271 0.321639 0.237658
C 3.662447 -1.150789 -1.373369
C -2.080497 -0.775674 2.178180
C 5.031310 -0.675255 -0.808790
C 5.002740 0.351815 0.289609
C 4.813734 0.173662 1.656129
C -5.226814 2.374425 -0.737165
C 4.790129 1.400179 2.418031
C 4.969270 2.533271 1.642778
C -5.407069 3.866025 -0.502090
H 0.355217 0.797447 -0.943420
H 1.274705 -2.041603 -1.722543
H -3.392333 0.205993 -2.295503
H -2.310420 1.510849 -1.749980
H 2.704381 -0.273582 0.234193
H -4.312127 -0.010847 1.279820
H -4.935788 -0.111978 -0.437328
H 5.615293 -0.331684 -1.680187
H 5.535607 -1.590928 -0.443842
H 4.682541 -0.814848 2.105799
H 4.632156 1.434089 3.498409
H 4.985902 3.579005 1.944211
H -5.855666 4.332071 -1.392301
H -6.072361 4.024134 0.365946
H -4.438818 4.336951 -0.264709


