%chk=000038714.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038714

0 1
 S    2.479100       1.984600      3.0000000E-03
 O   0.7407000      -2.428100      1.3000000E-03
 N   -1.221800       1.158500      3.3000000E-03
 N   -1.223800      -1.238700      9.9999997E-05
 N   0.8551000       2.324700      4.4000000E-03
 C   -3.321500     -3.9799999E-02  1.9999999E-04
 C   -1.818000     -8.3499998E-02  1.8000000E-03
 C    3.337000     -0.6763000     -2.0000001E-03
 C    2.162900      0.2468000      7.9999998E-04
 C   0.8549000     -6.4700000E-02  1.0000000E-03
 C   -3.772400      0.7022000      -1.260000    
 C   -3.798300      0.7001000       1.252700    
 C   -3.860400      -1.472800     -4.4999998E-03
 C   7.4000001E-02   1.195500      3.0000000E-03
 C   0.1484000      -1.356800      6.0000003E-04
 C    4.177900     -0.4670000      -1.259600    
 C    4.186200     -0.4848000       1.254000    
 H    3.004100      -1.718200     -8.2000000E-03
 H   -3.363200      0.2353000      -2.163700    
 H   -4.864800      0.6975000      -1.347500    
 H   -3.450600       1.749900      -1.261000    
 H   -3.471600       1.746200       1.263000    
 H   -3.408100      0.2293000       2.162700    
 H   -4.892300      0.6987000       1.317200    
 H   -3.543800      -2.032900      0.8836000    
 H   -3.535300      -2.031000     -0.8906000    
 H   -4.956800      -1.473000     -1.0200000E-02
 H    4.682300      0.5051000      -1.276700    
 H    3.566700     -0.5518000      -2.165400    
 H    4.959700      -1.233000      -1.320700    
 H    3.579800     -0.5850000       2.161200    
 H    4.686500      0.4891000       1.282900    
 H    4.970600      -1.249100       1.298200    
 H   0.4710000       3.263700      5.5999998E-03


%chk=000038714-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038714

0 1
S 2.581247 2.096764 0.005235
O 0.839862 -2.405841 -0.008645
N -1.273703 1.216805 0.002648
N -1.201964 -1.240466 -0.005110
N 0.815647 2.368533 0.006187
C -3.389207 -0.063887 -0.003414
C -1.854320 -0.067362 -0.001249
C 3.428764 -0.668826 -0.003002
C 2.266045 0.287836 -0.000222
C 0.908765 0.024346 -0.000821
C -3.871837 0.699843 -1.273500
C -3.876567 0.696798 1.266543
C -3.954479 -1.502105 -0.006186
C 0.060992 1.212524 0.002714
C 0.207715 -1.303694 -0.004824
C 4.292800 -0.511786 -1.284452
C 4.288986 -0.523310 1.282452
H 2.958236 -1.671526 -0.008000
H -3.560346 0.171402 -2.193234
H -4.975720 0.761022 -1.269788
H -3.458034 1.722200 -1.296537
H -3.462566 1.718941 1.293779
H -3.568817 0.165990 2.186182
H -4.980413 0.758207 1.258641
H -3.617116 -2.065080 0.880349
H -3.614495 -2.062788 -0.893147
H -5.060135 -1.462781 -0.007720
H 4.783946 0.479503 -1.325004
H 3.683331 -0.634597 -2.196374
H 5.082711 -1.283365 -1.292223
H 3.676563 -0.653459 2.191367
H 4.780648 0.467251 1.332908
H 5.078260 -1.295565 1.286058
H 0.419401 3.309172 0.008887


