%chk=000170013.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170013

0 1
 S    4.210300      -1.083200      0.1076000    
 O    4.559800      -1.415500      -1.454800    
 O    5.383300     -0.4348000      0.6759000    
 O    3.661700      -2.286700      0.7132000    
 N  -0.7837000      0.1783000     -3.0500000E-02
 C   -1.911800       1.083100     -7.9300001E-02
 C   0.5350000      0.5982000     -1.4200000E-02
 C   -3.200100      0.3331000     -3.3300001E-02
 C    2.919800      9.1100000E-02  4.9199998E-02
 C    1.590900     -0.3325000      3.3300001E-02
 C   0.8584000       1.968600     -4.5100000E-02
 C    3.218000       1.453500      1.7700000E-02
 C    2.187300       2.392200     -2.9300001E-02
 C   -3.805100     -8.6800002E-02  -1.218000    
 C   -3.799800      5.0999999E-02   1.194100    
 C   -5.009900     -0.7885000      -1.175200    
 C   -5.004500     -0.6508000       1.236700    
 C   -5.609500      -1.070500      5.2000001E-02
 H   -1.876900       1.688400     -0.9944000    
 H   -1.878900       1.784600      0.7645000    
 H  -0.9567000     -0.8211000     -1.4100000E-02
 H    1.351800      -1.393800      4.9199998E-02
 H   8.9000002E-02   2.735000     -8.4299996E-02
 H    4.245400       1.806300      2.1700000E-02
 H    2.420000       3.452800     -5.5799998E-02
 H   -3.347200      0.1247000      -2.180700    
 H   -3.337700      0.3705000       2.124500    
 H   -5.480800      -1.115800      -2.097500    
 H   -5.471400     -0.8710000       2.192300    
 H   -6.547400      -1.617200      8.5299999E-02
 H    4.881100     -0.6507000      -1.987900    


%chk=000170013-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170013

0 1
S 4.283250 -1.028241 -0.143868
O 4.391462 -1.103224 -2.000851
O 5.671072 -0.408319 0.411758
O 3.758820 -2.462568 0.393911
N -0.779235 0.229268 0.185116
C -1.950764 1.112614 0.298419
C 0.530080 0.684695 0.103312
C -3.244193 0.322805 0.149588
C 2.904583 0.239700 -0.071347
C 1.602856 -0.256411 0.020926
C 0.852385 2.078577 0.090556
C 3.262332 1.597889 -0.090197
C 2.189399 2.514758 -0.003925
C -3.506624 -0.402973 -1.041997
C -4.206713 0.309518 1.188102
C -4.709626 -1.127889 -1.189056
C -5.414704 -0.411112 1.040706
C -5.668265 -1.132379 -0.147931
H -1.891468 1.884893 -0.497092
H -1.948836 1.651625 1.270302
H -0.944171 -0.771917 0.291138
H 1.421021 -1.336844 0.041439
H 0.055969 2.823923 0.170169
H 4.306234 1.915205 -0.147202
H 2.402109 3.588997 -0.006976
H -2.769891 -0.392145 -1.854424
H -4.010787 0.862340 2.114918
H -4.902804 -1.682555 -2.113956
H -6.151612 -0.412317 1.851324
H -6.602727 -1.692471 -0.263275
H 5.161250 -1.702942 -2.226787


