%chk=000014761.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014761

0 1
 S    1.220700      -1.835300      6.0500000E-02
 O   0.6421000      -2.353600      -1.373100    
 O    2.648400      -2.090600      7.1099997E-02
 O   0.3574000      -2.332500       1.113800    
 C    3.517800      0.1197000      2.7899999E-02
 C    2.144700      0.7109000      1.1800000E-02
 C   -3.929200     -0.5464000      1.7000001E-02
 C   0.9998000     -8.6199999E-02  2.4100000E-02
 C  -0.2784000      0.4955000      7.6000001E-03
 C   -2.703500      0.3036000      3.1000001E-03
 C  -0.3968000       1.905500     -2.2000000E-02
 C   -1.441700     -0.2912000      1.9900000E-02
 C    4.609200       1.232600      7.8999996E-03
 C    3.751100     -0.7944000      -1.213200    
 C    3.847800     -0.7690000       1.271100    
 C    2.028400       2.097400     -1.7400000E-02
 C   0.7665000       2.692200     -3.4100000E-02
 C   -2.819900       1.690200     -2.6100000E-02
 C   -5.109300      0.1506000     -0.7282000    
 C   -4.399800     -0.8366000       1.475900    
 C   -3.780400      -1.949600     -0.6592000    
 C   -1.674900       2.487200     -3.8500000E-02
 H   -1.396000      -1.369000      1.7899999E-02
 H    5.607700      0.7748000      7.1999999E-03
 H    4.565500       1.852200     -0.8964000    
 H    4.571500       1.878900      0.8934000    
 H    4.290700     -0.1779000      -1.953000    
 H    4.463700      -1.620300      -1.075800    
 H    2.889600      -1.066400      -1.831400    
 H    4.567300      -1.580900       1.097200    
 H    4.393400     -0.1347000       1.989600    
 H    3.006700      -1.068200       1.911000    
 H    2.858500       2.792500     -2.7300000E-02
 H   -5.962900     -0.5305000     -0.8340000    
 H   -5.492900       1.022000     -0.1867000    
 H   -4.816500      0.4644000      -1.737100    
 H   -4.605100      9.5799997E-02   2.014700    
 H   -5.314700      -1.439600       1.489000    
 H   -3.628900      -1.376700       2.037800    
 H   -4.745300      -2.466800     -0.7222000    
 H   -3.387700      -1.852100      -1.678000    
 H   -3.111500      -2.610600     -9.7400002E-02
 H   -3.775200       2.202900     -1.5600000E-02
 H   0.6974000       3.778000     -5.6499999E-02
 H   -1.788800       3.569200     -5.5900000E-02
 H   0.9559000      -1.869200      -2.171700    


%chk=000014761-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000014761

0 1
S 1.063934 -2.007078 -0.445877
O -0.140251 -2.044477 -1.887447
O 2.377602 -2.698113 -1.105076
O 0.385179 -2.754954 0.815600
C 3.748266 0.157891 -0.002694
C 2.270312 0.662775 -0.080841
C -4.040630 -0.551216 0.157604
C 1.073993 -0.081254 -0.169394
C -0.266472 0.455900 -0.065543
C -2.740960 0.281780 0.093079
C -0.379504 1.899705 0.001576
C -1.477877 -0.313262 0.000829
C 4.709840 1.291383 0.474578
C 4.245157 -0.280237 -1.415858
C 3.899971 -0.985036 1.049068
C 2.062480 2.090260 -0.023460
C 0.807859 2.684661 -0.009881
C -2.825256 1.716687 0.126638
C -4.937400 -0.183921 -1.064528
C -4.801529 -0.217047 1.476775
C -3.770675 -2.077159 0.120846
C -1.677379 2.498534 0.086355
H -1.421241 -1.399620 -0.012015
H 5.712696 0.849679 0.611399
H 4.818617 2.103296 -0.267250
H 4.399037 1.726382 1.442154
H 4.158855 0.558502 -2.131335
H 5.311551 -0.568291 -1.354102
H 3.682022 -1.143456 -1.799693
H 4.974012 -1.214392 1.174849
H 3.502825 -0.668491 2.030813
H 3.416216 -1.925380 0.749994
H 2.942124 2.732724 0.017962
H -5.884024 -0.754349 -1.021915
H -5.191673 0.891210 -1.083388
H -4.426465 -0.430278 -2.012957
H -5.064204 0.854211 1.543965
H -5.740848 -0.798531 1.526765
H -4.188539 -0.473749 2.359808
H -4.732935 -2.619539 0.159728
H -3.249855 -2.378970 -0.806094
H -3.162481 -2.410484 0.981615
H -3.804777 2.202159 0.193779
H 0.723333 3.777089 0.019483
H -1.744822 3.591949 0.126483
H 0.226317 -2.779694 -2.463694


