%chk=000022994.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022994

0 1
 S    3.025800      -1.180800     -5.0000002E-04
 O   -2.553500      -2.354600      8.9999998E-04
 O   -3.511900       2.237800       0.000000    
 N   0.3235000      -1.531000      1.9999999E-04
 N   -1.278900       1.583700      1.9999999E-04
 N   -3.057600     -6.0199998E-02 -3.9999999E-04
 N   0.9771000      0.6004000      6.0000003E-04
 N    6.206800       1.358300      9.9999997E-05
 C  -0.8178000     -0.7814000      6.9999998E-04
 C  -0.3895000      0.5180000      6.9999998E-04
 C   -2.187200      -1.182500     -9.9999997E-05
 C    1.377600     -0.6543000      9.9999997E-05
 C   -2.673400       1.329400      3.0000001E-04
 C   0.3900000      -2.976200     -3.0000001E-04
 C  -0.7741000       2.951200     -3.0000001E-04
 C   -4.489100     -0.3429000     -1.6000000E-03
 C    3.967600      0.3840000     -9.9999997E-05
 C    5.464800      0.1012000     -6.0000003E-04
 H    1.401400      -3.336300      0.1866000    
 H  -0.2600000      -3.352100      0.7944000    
 H   4.5200001E-02  -3.330200     -0.9754000    
 H   -1.588600       3.679900     -7.9999998E-04
 H  -0.1627000       3.104200     -0.8949000    
 H  -0.1634000       3.105000      0.8947000    
 H   -4.710900      -1.412300     -6.0999999E-03
 H   -4.936100      0.1222000     -0.8859000    
 H   -4.935700      0.1148000      0.8870000    
 H    3.686300      0.9617000     -0.8878000    
 H    3.688200      0.9622000      0.8879000    
 H    5.749500     -0.4735000      0.8877000    
 H    5.750400     -0.4796000     -0.8852000    
 H    5.978500       1.892200     -0.8376000    
 H    7.205300       1.160700     -5.0700001E-02


%chk=000022994-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000022994

0 1
S 3.182490 -1.675976 0.696336
O -2.632213 -2.284833 -0.116456
O -3.042481 2.411939 -0.311455
N 0.428279 -1.767618 0.293226
N -0.889709 1.534968 0.014015
N -2.806656 0.081289 -0.207459
N 1.265515 0.366096 0.346837
N 5.252910 1.704958 -0.769058
C -0.662057 -0.889872 0.119810
C -0.107908 0.399307 0.157700
C -2.063093 -1.146977 -0.068889
C 1.552229 -0.965891 0.425995
C -2.288134 1.406197 -0.176247
C 0.374210 -3.238786 0.333494
C -0.280875 2.877356 0.054950
C -4.270786 -0.020124 -0.407082
C 4.205137 -0.060624 0.670643
C 4.471032 0.463667 -0.762177
H 0.714412 -3.608689 1.316617
H -0.670011 -3.544125 0.166039
H 1.018562 -3.664785 -0.455207
H -1.090777 3.611562 -0.064386
H 0.453252 2.986905 -0.761284
H 0.233715 3.030454 1.018466
H -4.528187 -1.089273 -0.398880
H -4.554689 0.438946 -1.368180
H -4.799583 0.513006 0.399720
H 3.635754 0.673057 1.264154
H 5.138602 -0.331441 1.194972
H 5.003073 -0.305480 -1.350962
H 3.502730 0.647617 -1.258280
H 4.775439 2.535348 -0.412972
H 6.227417 1.630823 -0.470201


