%chk=000178949.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178949

0 1
 S   -3.215400      -2.655600     -0.4245000    
 O    5.719600      0.2402000      5.4600000E-02
 O   -3.870400       2.691700      0.1553000    
 N   -3.852900      0.3491000     -0.1010000    
 C   0.9529000       1.701100      0.1313000    
 C  -0.2260000      0.7585000      6.2000002E-03
 C   0.2196000     -0.5750000     -0.1348000    
 C    2.123500      0.7441000      4.5100000E-02
 C    1.666500     -0.5839000     -0.1109000    
 C   -1.573600       1.073100      1.8600000E-02
 C  -0.6905000      -1.610600     -0.2655000    
 C    3.473600       1.042000      0.1023000    
 C    2.567600      -1.630700     -0.2115000    
 C   -2.490700      2.8899999E-02 -0.1131000    
 C   -2.053700      -1.299500     -0.2540000    
 C    4.381700     -1.3500000E-02  1.1000000E-03
 C    3.933300      -1.336500     -0.1541000    
 C   -4.439300       1.612300      2.8899999E-02
 C   -2.796000      -3.669300       1.018700    
 C    6.114900       1.601200      0.2131000    
 C   -5.944800       1.532400     -5.9000002E-03
 H   0.9400000       2.211400       1.098700    
 H   0.9710000       2.411500     -0.7003000    
 H   -1.816700       2.117400      0.1314000    
 H  -0.3403000      -2.631700     -0.3829000    
 H    3.751300       2.081800      0.2233000    
 H    2.236800      -2.657000     -0.3314000    
 H    4.655300      -2.146100     -0.2310000    
 H   -4.482700     -0.4445000     -0.1995000    
 H   -3.516300      -4.487600       1.101600    
 H   -2.843100      -3.070200       1.932100    
 H   -1.796600      -4.099600      0.9166000    
 H    5.769600       2.012500       1.167800    
 H    5.802900       2.213400     -0.6399000    
 H    7.209500       1.619300      0.2352000    
 H   -6.271200       1.129700     -0.9689000    
 H   -6.372200       2.530400      0.1254000    
 H   -6.301300      0.8856000      0.8008000    


%chk=000178949-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178949

0 1
S -3.176318 -2.751490 -0.549479
O 5.936453 0.251760 -0.013990
O -4.050736 2.475518 0.326907
N -3.863006 0.178583 -0.141123
C 1.019554 1.709970 0.175945
C -0.157141 0.753702 0.016619
C 0.325750 -0.574940 -0.187538
C 2.228709 0.789719 0.041229
C 1.797345 -0.552517 -0.173790
C -1.527304 1.043190 0.043294
C -0.592405 -1.632855 -0.359662
C 3.595208 1.116987 0.103283
C 2.753312 -1.584680 -0.330110
C -2.458383 -0.021797 -0.132192
C -1.975137 -1.358409 -0.320979
C 4.543605 0.071306 -0.054312
C 4.123129 -1.269324 -0.269969
C -4.583185 1.353537 0.066820
C -3.385943 -3.274969 1.263913
C 6.439142 1.608984 0.205382
C -6.098410 1.194032 -0.043479
H 0.996826 2.227817 1.154802
H 1.011227 2.501238 -0.599024
H -1.912685 2.053796 0.194159
H -0.257017 -2.661797 -0.524644
H 3.910781 2.151785 0.268479
H 2.442621 -2.621785 -0.498193
H 4.892869 -2.038129 -0.386498
H -4.389989 -0.679783 -0.358595
H -4.119004 -4.096948 1.269928
H -3.755917 -2.427982 1.861239
H -2.418791 -3.624675 1.653586
H 6.104149 2.010574 1.181899
H 6.120917 2.293269 -0.605451
H 7.534915 1.514256 0.200656
H -6.471703 1.863214 -0.838098
H -6.563249 1.522069 0.902355
H -6.424289 0.163073 -0.264469


