%chk=000050625.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050625

0 1
 S    1.349900     -4.1900001E-02  -1.563100    
 S   -2.979100     -0.1793000      0.5159000    
 S   -5.670500      -1.212700       1.470000    
 S    4.404200      -3.950200      0.3121000    
 O    1.996700       3.743100       1.057600    
 O   -1.625000       4.085800      8.3200000E-02
 O   -1.197900       2.755400       1.893600    
 O    5.492500       1.129500      -1.670700    
 O    6.974700     -0.9059000       1.889200    
 O   -9.960900      -2.969300      0.7268000    
 O   -8.079400      -2.948000     -0.5449000    
 N   0.8777000       2.326000     -0.4590000    
 N    3.731800       1.248400     -0.1229000    
 N    6.444800      0.1787000       1.176300    
 N   -5.377500      0.4032000     -0.5264000    
 N    6.155400      -2.371200     -0.7473000    
 N    6.289800      -4.629200      -1.435700    
 C    1.633800       1.742900      -1.552300    
 C    2.897700       2.232500     -0.8121000    
 C    1.906200       2.974900      0.1286000    
 C  -0.4550000       2.138100     -0.2784000    
 C   -1.126300       1.160000     -0.9318000    
 C  -0.4462000      0.1331000      -1.834400    
 C   -2.617700      0.9402000     -0.8470000    
 C   -1.122800       3.001800      0.7067000    
 C    4.940500      0.8056000     -0.6315000    
 C    5.615900     -0.2090000      0.2544000    
 C   -4.742000     -0.2652000      0.3969000    
 C    5.365000      -1.645300      9.7700000E-02
 C   -7.080600     -0.6983000      0.6403000    
 C   -6.728700      0.1531000     -0.3860000    
 C    4.369700      -2.295800      0.7627000    
 C   -8.411400      -1.173700       1.068600    
 C   -7.658800      0.8078000      -1.328900    
 C    5.737200      -3.617100     -0.7159000    
 C   -8.768800      -2.452000      0.3375000    
 C    7.864600     -0.3960000       2.870200    
 H    1.457400       2.246500      -2.510200    
 H    3.499000       2.935900      -1.401700    
 H  -0.6210000      0.4005000      -2.882400    
 H  -0.8744000     -0.8611000      -1.670300    
 H    3.422600      0.8598000      0.7653000    
 H   -3.137900       1.891100     -0.6888000    
 H   -2.993000      0.5317000      -1.792600    
 H   -2.081900       4.691000      0.7055000    
 H    3.643500      -1.912600       1.465800    
 H   -8.436000      -1.371900       2.145900    
 H   -9.178200     -0.4250000      0.8416000    
 H   -8.317200       1.503600     -0.7993000    
 H   -7.114500       1.374100      -2.091600    
 H   -8.278000      6.5300003E-02  -1.842100    
 H    7.329900      0.2582000       3.565800    
 H    8.684500      0.1500000       2.393400    
 H    8.281900      -1.237200       3.429900    
 H    7.078900      -4.475700      -2.054800    
 H    5.936000      -5.578700      -1.381800    
 H   -10.18690      -3.783400      0.2283000    


%chk=000050625-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050625

0 1
S -0.183547 0.295171 -1.328955
S -3.720560 3.020335 1.010605
S -5.725393 0.977240 2.265970
S 7.895722 -2.849360 -1.854751
O 2.339484 3.578492 0.467511
O 0.429270 5.596667 -0.712972
O -1.611500 5.354162 0.371806
O 4.687387 0.347130 -2.187425
O 3.905948 -2.492224 1.605664
O -7.329739 -3.466008 3.069877
O -5.383252 -3.151282 1.839451
N 0.627743 2.947282 -1.169923
N 2.901330 0.583164 -0.720603
N 3.637310 -1.415359 0.714044
N -4.814879 0.751606 -0.226791
N 6.092311 -3.116027 0.124445
N 7.817750 -4.770214 0.207404
C 0.900046 1.718749 -1.946618
C 2.375767 1.739256 -1.388903
C 1.890337 2.932885 -0.487935
C -0.645885 3.472796 -0.869307
C -1.789432 2.719898 -1.071115
C -1.772031 1.296621 -1.603482
C -3.172303 3.261825 -0.825160
C -0.690655 4.862144 -0.327733
C 4.056879 -0.047387 -1.157491
C 4.484878 -1.237200 -0.298598
C -4.714942 1.524931 0.840148
C 5.691245 -2.000939 -0.650951
C -6.283284 -0.403731 1.219446
C -5.691873 -0.337262 -0.033094
C 6.519415 -1.706929 -1.738125
C -7.207828 -1.448325 1.775045
C -5.872606 -1.325139 -1.155161
C 7.191241 -3.673561 -0.335800
C -6.501673 -2.738215 2.201709
C 2.846409 -2.496254 2.641636
H 0.765832 1.831366 -3.032847
H 3.104086 2.045593 -2.160469
H -1.974107 1.300191 -2.691771
H -2.585158 0.720018 -1.127685
H 2.465275 0.195609 0.124743
H -3.257604 4.347548 -0.962505
H -3.929290 2.720831 -1.414454
H 0.415347 6.482278 -0.259991
H 6.396019 -0.901050 -2.455854
H -7.793410 -1.078825 2.633615
H -7.955122 -1.740180 1.009663
H -6.776763 -1.941400 -1.017644
H -5.947704 -0.796991 -2.121008
H -5.008095 -2.012045 -1.207104
H 1.855683 -2.649507 2.180125
H 2.859732 -1.550953 3.211082
H 3.107692 -3.345077 3.292147
H 7.407333 -5.192843 1.036982
H 8.667903 -5.156133 -0.190262
H -6.882540 -4.321269 3.315272


