%chk=000027354.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027354

0 1
 S   3.1199999E-02   4.183300      9.2699997E-02
 O   -1.375600       2.003600     -2.0000001E-03
 O    4.209100      -1.038200      0.2106000    
 N   -3.443300      -1.045100     -0.1305000    
 C   -3.133600      0.3834000     -8.0600001E-02
 C   -2.900600      -1.727100       1.043700    
 C   -4.888400      -1.251800     -0.2193000    
 C   -1.630300      0.6053000     -3.2200001E-02
 C   -3.160000      -3.222700      0.9786000    
 C   -5.469800     -0.5496000      -1.434600    
 C  -0.1172000       2.522500      6.2300000E-02
 C    1.013200       1.590900      0.1016000    
 C    1.597300       1.170800      -1.087000    
 C    1.488700       1.138500       1.326400    
 C    3.157700     -0.1749000      0.1746000    
 C    2.673700      0.2845000      -1.050300    
 C    2.565200      0.2522000       1.362900    
 C    4.358700      -1.925900     -0.8963000    
 C    5.024200      -3.199600     -0.4205000    
 H   -3.611200      0.8768000      0.7767000    
 H   -3.485200      0.9099000     -0.9747000    
 H   -1.811100      -1.648500       1.082200    
 H   -3.299300      -1.318700       1.980600    
 H   -5.408100     -0.9120000      0.6855000    
 H   -5.118000      -2.313900     -0.3536000    
 H   -1.192300      0.1942000      0.8791000    
 H   -1.154700      0.1601000     -0.9133000    
 H   -4.202700      -3.476300       1.192900    
 H   -2.884300      -3.641400      4.6000001E-03
 H   -2.554400      -3.733900       1.735800    
 H   -5.552100      0.5327000      -1.294500    
 H   -4.887000     -0.7510000      -2.340200    
 H   -6.487000     -0.9156000      -1.615700    
 H    1.230200       1.525600      -2.046400    
 H    1.033000       1.462900       2.258000    
 H    3.123300     -1.5000000E-03  -1.996600    
 H    2.937500     -0.1026000       2.320100    
 H    3.390000      -2.203800      -1.330500    
 H    4.979800      -1.446500      -1.660800    
 H    4.421000      -3.683800      0.3548000    
 H    5.999900      -2.981100      2.6100000E-02
 H    5.164600      -3.901000      -1.247800    


%chk=000027354-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000027354

0 1
S -0.023279 3.776901 1.166472
O -1.319540 1.938473 -0.228928
O 4.413043 -1.213930 0.178084
N -3.835885 -0.828856 0.137875
C -3.268307 0.537747 0.230202
C -3.609765 -1.638785 1.365433
C -5.235746 -0.867713 -0.361235
C -1.833980 0.533104 -0.326496
C -3.562966 -3.153908 1.090644
C -5.338337 -0.569585 -1.868997
C -0.128860 2.258830 0.416084
C 1.000872 1.299168 0.342694
C 1.218047 0.490852 -0.808025
C 1.955565 1.232556 1.400766
C 3.270054 -0.413131 0.160828
C 2.343637 -0.350505 -0.912522
C 3.065788 0.382745 1.320541
C 4.702020 -2.048665 -1.009801
C 5.998322 -2.797839 -0.716725
H -3.260238 0.930704 1.271458
H -3.872008 1.241618 -0.368704
H -2.638873 -1.329116 1.796399
H -4.382590 -1.419109 2.144541
H -5.891381 -0.162815 0.209057
H -5.630365 -1.883102 -0.175560
H -1.178185 -0.156407 0.233827
H -1.844510 0.247044 -1.391914
H -4.516665 -3.527916 0.676482
H -2.764161 -3.384636 0.364393
H -3.364953 -3.709536 2.026245
H -4.952769 0.436840 -2.114456
H -4.753606 -1.308914 -2.443717
H -6.392207 -0.613210 -2.201644
H 0.525875 0.555373 -1.654055
H 1.807688 1.871104 2.277613
H 2.491820 -0.936017 -1.824056
H 3.796180 0.320724 2.132603
H 3.858799 -2.749270 -1.178092
H 4.804946 -1.393907 -1.898902
H 5.887756 -3.433392 0.178149
H 6.826062 -2.090346 -0.540324
H 6.264803 -3.442475 -1.573835


