%chk=000060455.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060455

0 1
 S    1.221800     -0.8683000      0.4680000    
 O    1.978100     -0.6059000       1.683400    
 O   8.4899999E-02  -1.777500      0.4757000    
 O    2.737700      -3.388600      0.5397000    
 O    2.944300       1.584200       1.405200    
 O    2.485000       3.656800      0.8461000    
 N  -0.4428000      0.8443000     -0.9015000    
 N   0.3190000       2.886200     -0.5945000    
 N    2.218000       2.422200      0.7981000    
 N    3.846100      -3.159200      -1.460400    
 C   0.6481000      0.6957000     -0.1136000    
 C   -1.303600     -0.2401000      -1.385400    
 C  -0.6133000       2.160800      -1.171400    
 C    1.108900       1.978800      6.6000000E-02
 C    2.352600      -1.408200     -0.7960000    
 C   -2.425200     -0.5223000     -0.4437000    
 C   -1.717300       2.674400      -2.007900    
 C   -2.550500      0.2165000      0.7329000    
 C   -3.349100      -1.524600     -0.7395000    
 C    2.978000      -2.740500     -0.4745000    
 C   -3.599400     -4.7100000E-02   1.613700    
 C   -4.398100      -1.788200      0.1414000    
 C   -4.523200      -1.049300       1.318000    
 H  -0.6913000      -1.116300      -1.610300    
 H   -1.714900      8.2699999E-02  -2.349200    
 H    1.798300      -1.483900      -1.736000    
 H    3.138300     -0.6521000     -0.8866000    
 H   -1.709800       3.769400      -2.014200    
 H   -1.612300       2.338700      -3.044100    
 H   -2.692400       2.355900      -1.627900    
 H   -1.874200       1.008700       1.031200    
 H   -3.259700      -2.105700      -1.653500    
 H   -3.697700      0.5274000       2.530300    
 H   -5.117400      -2.568700     -8.8699996E-02
 H   -5.339900      -1.254600       2.003800    
 H    4.027500      -2.608500      -2.293600    
 H    4.338500      -4.042700      -1.381200    


%chk=000060455-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060455

0 1
S 1.254748 -1.477934 -0.342442
O 1.463668 -1.453265 1.271080
O 0.205563 -2.558080 -0.986994
O 4.393711 -3.638708 -0.842585
O 3.300362 0.812821 0.020628
O 2.823864 3.043828 0.147408
N -0.685873 0.517336 -1.278112
N 0.304065 2.547892 -0.996616
N 2.500977 1.838880 -0.128431
N 4.508723 -1.762539 0.544483
C 0.608399 0.268888 -0.817089
C -1.798940 -0.455266 -1.510482
C -0.825199 1.916393 -1.381573
C 1.183174 1.541873 -0.636422
C 2.947881 -1.766111 -1.353719
C -2.804233 -0.467074 -0.362951
C -2.063274 2.597491 -1.864287
C -2.389155 -0.773930 0.958661
C -4.173964 -0.209708 -0.616937
C 4.007197 -2.477794 -0.510963
C -3.333635 -0.813582 2.006748
C -5.120585 -0.258831 0.431876
C -4.700820 -0.557199 1.747659
H -1.335107 -1.449537 -1.632289
H -2.288043 -0.167333 -2.456607
H 2.589937 -2.416564 -2.163964
H 3.249760 -0.757904 -1.671501
H -1.899722 3.684070 -1.809738
H -2.298932 2.333094 -2.912099
H -2.938694 2.335799 -1.244129
H -1.337267 -0.993890 1.177963
H -4.505705 0.018005 -1.638289
H -3.004050 -1.053702 3.023273
H -6.178003 -0.063718 0.222514
H -5.430931 -0.593347 2.563467
H 4.159006 -0.830233 0.780674
H 5.204095 -2.209719 1.141586


