%chk=000005124.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005124

0 1
 S    3.148300      -2.378900      9.1499999E-02
 S   -3.347100      -1.699600      0.5823000    
 O  -0.1430000      0.6943000      -1.888000    
 O   -2.877900       3.021700     -0.6801000    
 O   -1.488500       2.808800       1.098600    
 O    4.058700       1.956800     -0.9971000    
 O    3.210000       1.463100       1.079200    
 O    3.608600      -2.237300       2.465500    
 O   -3.676700      -2.583000      -1.649600    
 N  -0.9793000      0.2708000      0.2311000    
 N    2.356000      0.5024000     -0.8518000    
 N    2.681900      -1.985400       1.689000    
 N   -3.645400      -1.483600      -1.087500    
 C    1.497600      -1.828900     -0.5355000    
 C    1.330200     -0.3135000     -0.2425000    
 C   -3.410900      0.1295000      0.8407000    
 C   -2.301700      0.7954000     -1.3900000E-02
 C   6.3000000E-03  0.2648000     -0.7451000    
 C    1.494200      -2.115600      -2.045200    
 C   0.4322000      -2.698500      0.1500000    
 C   -3.168100      0.3632000       2.340400    
 C   -4.829200      0.5966000      0.4788000    
 C   -2.168900       2.292400      0.2207000    
 C    3.206900       1.319900     -0.1390000    
 C    5.005700       2.844600     -0.3924000    
 H    1.348300     -0.1196000      0.8361000    
 H   -2.503500      0.6910000      -1.087200    
 H  -0.7499000     -5.7399999E-02   1.163500    
 H   0.5391000      -1.832700      -2.501200    
 H    1.627900      -3.185700      -2.248300    
 H    2.285800      -1.580900      -2.581600    
 H   0.6815000      -3.766100      0.1163000    
 H  -0.5237000      -2.596200     -0.3753000    
 H   0.2394000      -2.418700       1.190900    
 H   -3.226200       1.427700       2.592800    
 H   -3.933100     -0.1361000       2.949000    
 H   -2.194500     -3.1000001E-03   2.682100    
 H   -4.974800       1.636700      0.7961000    
 H   -5.602100      7.0000002E-03  0.9864000    
 H   -5.032300      0.5824000     -0.5972000    
 H    2.432000      0.5150000      -1.864500    
 H   -2.778700       3.985800     -0.5286000    
 H    4.485900       3.650800      0.1338000    
 H    5.658100       2.293100      0.2912000    
 H    5.617400       3.280800      -1.186500    


%chk=000005124-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000005124

0 1
S 3.260998 -2.199438 0.489542
S -3.154624 -1.530528 -0.596182
O -0.430778 0.275280 -1.793045
O -3.276589 3.270255 0.487187
O -1.925285 2.475976 2.199484
O 4.023233 1.709604 -1.686369
O 3.653544 1.339613 0.612167
O 3.944283 -1.212021 3.008319
O -2.960522 -1.028054 -3.355016
N -0.966023 0.528987 0.460023
N 2.260162 0.430965 -1.052642
N 3.002216 -1.212225 2.221227
N -3.125342 -0.420168 -2.307741
C 1.467173 -1.791674 -0.121684
C 1.323387 -0.220939 -0.140460
C -3.466726 0.019670 0.513239
C -2.313152 1.058701 0.211960
C -0.101789 0.209548 -0.566557
C 1.375916 -2.416687 -1.528660
C 0.463294 -2.438525 0.853755
C -3.419374 -0.501520 1.965378
C -4.852619 0.595781 0.157744
C -2.464352 2.311634 1.081326
C 3.330126 1.166195 -0.592334
C 5.211039 2.511548 -1.327095
H 1.545788 0.146686 0.877468
H -2.376507 1.342080 -0.852290
H -0.618692 0.572435 1.422754
H 0.387623 -2.204861 -1.974445
H 1.504152 -3.511425 -1.468064
H 2.152666 -2.016758 -2.203016
H 0.659200 -3.521609 0.932442
H -0.572555 -2.302914 0.488662
H 0.548919 -2.004802 1.866142
H -3.591683 0.327035 2.677415
H -4.207827 -1.257010 2.124531
H -2.447672 -0.967404 2.205228
H -5.115520 1.433496 0.828908
H -5.620888 -0.188661 0.265322
H -4.877877 0.967547 -0.880335
H 2.032307 0.449261 -2.049338
H -3.349201 4.067327 1.081408
H 4.922645 3.370247 -0.697454
H 5.942765 1.892429 -0.781182
H 5.620659 2.848722 -2.289826


