%chk=000103592.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103592

0 1
 S    1.713400      -2.242000      0.2206000    
 O    2.566200      -2.408000       1.386000    
 O    1.455200      -3.375000     -0.6525000    
 O    5.374100      0.5118000      0.5247000    
 O    4.947200      -1.389500     -0.6362000    
 O   -1.826800       4.145800      0.3834000    
 N    2.303500     -0.9441000     -0.7176000    
 N   -4.487200     -0.2813000     -5.7999999E-03
 C    3.109700      0.1119000     -8.8600002E-02
 C   0.1562000      -1.629200      0.7574000    
 C  -0.9330000      -1.452500     -0.1114000    
 C    2.952000       1.419800     -0.8676000    
 C   -2.153900     -0.9536000      0.4018000    
 C   -3.243100     -0.7774000     -0.4671000    
 C   4.3000001E-02  -1.318400       2.112900    
 C    1.673400       2.149000     -0.5333000    
 C  -0.8372000      -1.760300      -1.478300    
 C   -2.249800     -0.6461000       1.768800    
 C   -1.157700     -0.8279000       2.617500    
 C   -3.130200      -1.088300      -1.822500    
 C    4.546500     -0.3586000     -0.1121000    
 C   -1.929600      -1.578900      -2.327100    
 C   0.5273000       1.882400      -1.265400    
 C    1.669000       3.071900      0.5006000    
 C   -5.504300      -1.194100      0.4675000    
 C   -4.743300       1.142100      7.7000000E-03
 C  -0.6540000       2.556400     -0.9558000    
 C   0.4876000       3.745600      0.8104000    
 C  -0.6740000       3.488100      8.2099997E-02
 H    2.809500      0.2387000      0.9580000    
 H    2.997800       1.236600      -1.950200    
 H    3.792100       2.097500     -0.6658000    
 H    2.422400      -1.078600      -1.729300    
 H   0.8694000      -1.440300       2.806300    
 H   6.8999998E-02  -2.105100      -1.959300    
 H   -3.166100     -0.2584000       2.206700    
 H   -1.244700     -0.5843000       3.672500    
 H   -3.972200     -0.9495000      -2.496200    
 H   -1.840100      -1.810900      -3.384400    
 H   0.5330000       1.161400      -2.077600    
 H    2.567600       3.277200       1.075300    
 H   -5.213400      -1.633900       1.426900    
 H   -5.662600      -2.006900     -0.2497000    
 H   -6.468500     -0.6938000      0.6071000    
 H   -4.874500       1.514300      -1.013700    
 H   -3.912400       1.687900      0.4678000    
 H   -5.647200       1.389600      0.5743000    
 H   -1.552400       2.345400      -1.529900    
 H   0.4780000       4.469600       1.620600    
 H    6.306800      0.2083000      0.5070000    
 H   -2.528700       3.842800     -0.2180000    


%chk=000103592-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103592

0 1
S 1.914479 -2.332103 0.123810
O 2.923604 -2.488627 1.402353
O 1.756164 -3.537349 -0.957320
O 5.169989 0.478700 1.159685
O 5.274346 -0.869118 -0.734782
O -2.348668 3.716212 -0.450332
N 2.425341 -0.838167 -0.914490
N -4.397964 -0.134754 0.421902
C 3.130763 0.187348 -0.112664
C 0.251992 -1.734946 0.822658
C -0.884755 -1.535750 -0.027071
C 2.995734 1.580068 -0.828616
C -2.077359 -1.011406 0.625801
C -3.257427 -0.723530 -0.179028
C 0.257891 -1.546833 2.199897
C 1.586331 2.141428 -0.761876
C -0.917063 -1.862191 -1.420898
C -2.084038 -0.865530 2.050356
C -0.952661 -1.130012 2.825996
C -3.254422 -1.099341 -1.538166
C 4.614603 -0.158269 0.054460
C -2.099056 -1.673024 -2.139718
C 0.550079 1.620252 -1.577039
C 1.269172 3.191622 0.139163
C -5.712027 -0.336187 -0.205532
C -4.284901 1.155842 1.139252
C -0.764126 2.123694 -1.494094
C -0.038968 3.710936 0.231945
C -1.054049 3.171444 -0.588543
H 2.668674 0.264122 0.886261
H 3.331521 1.456330 -1.875457
H 3.701770 2.271234 -0.332520
H 3.066338 -1.252374 -1.627132
H 1.167508 -1.748053 2.775598
H -0.035874 -2.298048 -1.898027
H -3.018767 -0.583463 2.542134
H -0.989963 -1.030883 3.915071
H -4.141908 -0.926650 -2.154558
H -2.136715 -1.951092 -3.198975
H 0.768591 0.793525 -2.259383
H 2.055856 3.613816 0.776515
H -5.827666 -1.385836 -0.522604
H -5.886607 0.322841 -1.088280
H -6.499082 -0.112222 0.536897
H -4.683848 1.987606 0.517063
H -3.235640 1.392445 1.366457
H -4.860565 1.137733 2.084610
H -1.555119 1.691658 -2.121141
H -0.284946 4.525507 0.919513
H 6.133219 0.240047 1.239803
H -2.966782 3.298545 -1.100453


