%chk=000148109.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148109

0 1
 S   0.2522000      -1.153400      -1.177800    
 S   -1.583600       1.379700     -0.4936000    
 S   -3.889200     -0.2608000     -9.2799999E-02
 S   -2.052100      -2.966300     -0.7345000    
 O    3.961500     -0.5454000      -1.235300    
 O    3.606700      -2.574500     -0.2881000    
 O    2.035100       1.401500       2.581100    
 N    2.393700      0.7618000      0.3714000    
 N   -2.212600     -0.2159000     -0.4684000    
 C    2.384400     -0.6657000      0.5731000    
 C   0.9719000      -1.248100      0.4798000    
 C    3.364300      -1.375100     -0.3466000    
 C    2.217400       1.676300       1.398000    
 C   -1.464300      -1.376700     -0.7498000    
 C    2.296900       3.100300      0.9166000    
 C   -1.904600       1.796000      -2.224800    
 C   -3.781100     -0.4354000       1.705000    
 C   -1.429600       3.203600      -2.531300    
 C   -5.167000     -0.5019000       2.318000    
 H    2.759300     -0.8406000       1.590200    
 H   0.3180000     -0.7285000       1.189300    
 H   0.9918000      -2.304200      0.7713000    
 H    2.524400       1.106400     -0.5756000    
 H    3.336300       3.349100      0.6862000    
 H    1.928600       3.773200       1.695700    
 H    1.682900       3.234000      2.1100000E-02
 H   -1.389100       1.084000      -2.876600    
 H   -2.977700       1.722000      -2.427300    
 H   -3.224500      -1.343500       1.955800    
 H   -3.237900      0.4182000       2.122700    
 H    4.594200      -1.021800      -1.814100    
 H   -1.950000       3.946500      -1.917300    
 H  -0.3517000       3.308500      -2.366600    
 H   -1.628700       3.444100      -3.580900    
 H   -5.741800      0.4077000       2.113200    
 H   -5.731300      -1.362900       1.943700    
 H   -5.089000     -0.6054000       3.405500    


%chk=000148109-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000148109

0 1
S 0.253738 0.240267 -0.306340
S -2.367428 1.624421 -1.092463
S -4.090947 -0.634983 0.128836
S -1.303100 -1.973258 1.258407
O 3.508025 0.849186 -1.881009
O 3.203025 -1.444855 -2.104786
O 3.741985 -0.097213 2.787073
N 3.251024 0.873656 0.740881
N -2.443154 0.049644 -0.185095
C 2.964022 -0.423819 0.125041
C 1.535464 -0.953705 0.425214
C 3.233818 -0.432789 -1.378508
C 3.633405 0.946830 2.071597
C -1.294461 -0.592781 0.276017
C 3.908510 2.346517 2.606514
C -2.667013 0.958532 -2.853263
C -4.426316 0.123019 1.842763
C -2.770621 2.151288 -3.815399
C -5.841533 -0.286355 2.279134
H 3.642749 -1.168360 0.589427
H 1.377857 -1.008314 1.512470
H 1.379923 -1.945767 -0.025547
H 3.192211 1.708606 0.156597
H 4.931303 2.379789 3.019169
H 3.213751 2.557119 3.437853
H 3.801576 3.136830 1.843950
H -1.823448 0.294161 -3.097636
H -3.604731 0.379522 -2.811788
H -3.652342 -0.272481 2.519319
H -4.323144 1.215744 1.739511
H 3.652872 0.796673 -2.863848
H -3.605898 2.820762 -3.543248
H -1.838269 2.743386 -3.834161
H -2.954316 1.781119 -4.840416
H -6.609545 0.084441 1.576768
H -5.937936 -1.383651 2.359157
H -6.057254 0.143617 3.274107


