%chk=000001330.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001330

0 1
 S   -6.570000     -0.2745000     -0.2279000    
 O    4.895400       1.199600      0.6405000    
 O    2.663000      -2.884500      2.1900000E-02
 O   -7.105800      0.3390000       1.189800    
 O   -6.977000      0.6539000      -1.272700    
 O   -6.957600      -1.675400     -0.2887000    
 N    2.572500       1.225400      0.5023000    
 N    3.807200     -0.8513000      0.3321000    
 N   0.1539000      -1.269400      5.9900001E-02
 N   0.1343000      0.9446000      0.3204000    
 C    1.418600      0.4707000      0.3422000    
 C    1.459000     -0.8877000      0.1839000    
 C    2.487100       2.671000      0.6690000    
 C    3.834600      0.5801000      0.5025000    
 C    5.096500      -1.534400      0.3307000    
 C    2.655300      -1.665300      0.1653000    
 C  -0.6055000     -0.1314000      0.1485000    
 C    2.542500       3.365100     -0.6896000    
 C    5.651900      -1.615200      -1.089000    
 C   -2.045400     -0.1659000      5.7599999E-02
 C    2.476800       4.877500     -0.5419000    
 C    6.987000      -2.342900      -1.120900    
 C   -2.737000      0.9268000     -0.4641000    
 C   -2.744200      -1.291900      0.4921000    
 C   -4.828400     -0.2324000     -0.1171000    
 C   -4.128700      0.8936000     -0.5514000    
 C   -4.136100      -1.325200      0.4047000    
 H    1.567000       2.926300       1.207600    
 H    3.326300       3.006900       1.289300    
 H    5.799900      -1.002200      0.9811000    
 H    4.976600      -2.543100      0.7429000    
 H  -0.1776000      -2.214400     -8.4100001E-02
 H    3.466100       3.093600      -1.214800    
 H    1.710800       3.028200      -1.319800    
 H    4.942700      -2.136100      -1.743300    
 H    5.779500     -0.6077000      -1.502400    
 H    1.546700       5.183200     -5.2200001E-02
 H    3.317400       5.250400      5.1899999E-02
 H    2.516400       5.356300      -1.525300    
 H    7.729900      -1.826100     -0.5050000    
 H    6.884200      -3.367400     -0.7495000    
 H    7.368600      -2.389700      -2.145700    
 H   -2.211000       1.813500     -0.8097000    
 H   -2.236600      -2.154000      0.9174000    
 H   -4.647300       1.758500     -0.9553000    
 H   -4.659900      -2.208500      0.7590000    
 H   -6.844400       1.272100       1.372300    


%chk=000001330-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000001330

0 1
S -6.735868 0.000497 -0.207523
O 4.933636 1.232943 0.521527
O 2.790788 -2.972244 0.230356
O -7.049367 -0.020945 1.624772
O -7.200400 1.435796 -0.791494
O -7.299709 -1.374487 -0.846903
N 2.596436 1.220252 0.427457
N 3.855452 -0.854475 0.398131
N 0.161452 -1.345503 0.167629
N 0.137936 0.928383 0.265650
C 1.440523 0.465605 0.320617
C 1.489298 -0.937402 0.262134
C 2.545663 2.704889 0.453794
C 3.858199 0.574602 0.449983
C 5.191131 -1.515784 0.419084
C 2.707067 -1.706590 0.289958
C -0.633331 -0.201599 0.173001
C 2.603836 3.322040 -0.960777
C 5.808333 -1.636461 -0.991976
C -2.094721 -0.191901 0.089293
C 2.551674 4.862974 -0.896770
C 7.190866 -2.319172 -0.935299
C -2.760993 1.066616 0.099809
C -2.858441 -1.389131 -0.010281
C -4.873287 -0.073723 -0.072763
C -4.163479 1.135413 0.020887
C -4.263379 -1.338211 -0.089849
H 1.607447 2.989890 0.960941
H 3.405440 3.048596 1.052980
H 5.847747 -0.915581 1.070434
H 5.042119 -2.517431 0.856426
H -0.132842 -2.319881 0.108112
H 3.537828 2.996251 -1.455345
H 1.756308 2.939137 -1.560466
H 5.124922 -2.220041 -1.637228
H 5.904940 -0.625385 -1.429511
H 1.620107 5.213328 -0.413750
H 3.405735 5.267506 -0.322285
H 2.590509 5.301187 -1.909698
H 7.897192 -1.738083 -0.313414
H 7.117583 -3.336768 -0.507849
H 7.627922 -2.409190 -1.945684
H -2.156565 1.974897 0.172538
H -2.373777 -2.371635 -0.025199
H -4.690424 2.094300 0.016878
H -4.867030 -2.246571 -0.177742
H -8.039277 0.042789 1.763914


