%chk=000168401.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168401

0 1
 S    3.937100      0.8285000      -1.201000    
 S    5.985600      0.7648000      -1.272500    
 O   -2.580900      -1.803000      0.2921000    
 N   -3.764800      0.1620000     -4.8400000E-02
 C    3.744100      5.7200000E-02  0.4355000    
 C    2.455700     -0.7489000      0.5019000    
 C    1.227400      0.1432000      0.3249000    
 C    4.983200     -0.8155000      0.6491000    
 C  -6.4199999E-02 -0.6750000      0.3587000    
 C   -1.291700      0.2133000      0.1479000    
 C    6.239700     -8.5000005E-03  0.3437000    
 C   -2.592900     -0.5787000      0.1395000    
 C   -3.829000       1.610500     -0.2285000    
 C   -5.051500     -0.5228000     -6.9200002E-02
 C   -3.970900       2.328800       1.097500    
 C   -5.426800     -0.9560000      -1.471300    
 H    3.723800      0.8565000       1.186000    
 H    2.394900      -1.251600       1.475600    
 H    2.454500      -1.542100     -0.2572000    
 H    1.203100      0.8982000       1.120400    
 H    1.256700      0.6812000     -0.6280000    
 H    5.017500      -1.173200       1.685100    
 H    4.947100      -1.712800      1.5500000E-02
 H  -0.1464000      -1.197300       1.320000    
 H  -3.0900000E-02  -1.447200     -0.4201000    
 H   -1.335000      0.9653000      0.9412000    
 H   -1.191900      0.7215000     -0.8174000    
 H    7.127000     -0.6476000      0.3221000    
 H    6.396900      0.7725000       1.094700    
 H   -2.928000       1.965800     -0.7346000    
 H   -4.671400       1.854800     -0.8854000    
 H   -4.996100      -1.409200      0.5728000    
 H   -5.822200      0.1311000      0.3532000    
 H   -4.895400       2.038200       1.607300    
 H   -3.140200       2.104500       1.773000    
 H   -3.998600       3.411700      0.9413000    
 H   -5.512600     -9.6400000E-02  -2.143900    
 H   -4.674400      -1.632000      -1.891100    
 H   -6.388100      -1.479000      -1.463900    


%chk=000168401-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168401

0 1
S 4.103363 0.895829 -1.266441
S 6.387743 0.464295 -1.305341
O -2.604246 -1.815784 0.096760
N -3.800416 0.168767 -0.049435
C 3.826655 0.064486 0.453400
C 2.496188 -0.711893 0.431521
C 1.257016 0.172389 0.169499
C 5.045238 -0.829900 0.763789
C -0.063183 -0.622899 0.250835
C -1.294763 0.260923 -0.027162
C 6.363531 -0.085549 0.506276
C -2.605782 -0.544199 0.014305
C -3.892491 1.641615 -0.147326
C -5.074493 -0.591718 -0.018371
C -4.091123 2.331928 1.222392
C -5.565328 -0.979878 -1.429566
H 3.776897 0.901734 1.174556
H 2.380070 -1.216163 1.414789
H 2.558319 -1.507525 -0.336235
H 1.240067 1.007398 0.901812
H 1.349431 0.636942 -0.835289
H 4.993972 -1.145216 1.826000
H 5.003427 -1.738591 0.134631
H -0.166186 -1.086570 1.250892
H -0.051173 -1.461659 -0.469154
H -1.334649 1.094460 0.702537
H -1.190325 0.730735 -1.027959
H 7.240867 -0.742717 0.633085
H 6.465001 0.804867 1.148675
H -2.988625 2.036667 -0.640401
H -4.742966 1.885515 -0.812870
H -4.901846 -1.504902 0.575669
H -5.831576 0.025568 0.501534
H -5.003271 1.961961 1.723816
H -3.234121 2.136016 1.891106
H -4.189866 3.425841 1.095088
H -5.713858 -0.088901 -2.067629
H -4.828754 -1.641471 -1.915925
H -6.528344 -1.519600 -1.367363


