%chk=000145951.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145951

0 1
 S    5.731100     -0.6438000     -0.4357000    
 O  -0.3586000       1.113700      0.8019000    
 O   -3.572800      0.6818000     -0.7291000    
 O   -5.813700       1.593900      0.8180000    
 O   -4.249800      -1.933300      -1.703800    
 O    6.455400      0.3747000      0.6138000    
 O    6.334400      -1.952000     -0.2532000    
 O    5.696200     -8.8000000E-03  -1.740300    
 O   -2.686600     -0.2160000       1.206700    
 N   -4.745100     -4.8099998E-02 -0.4352000    
 C    3.160500      0.3221000      5.7999999E-03
 C    1.834900      0.1572000      0.4736000    
 C   -6.796600     -0.5861000      0.4435000    
 C   -6.277400      -1.757100     -0.3935000    
 C    4.065000     -0.7468000      0.1144000    
 C   0.9304000       1.225900      0.3646000    
 C   -5.744800      0.4826000      0.3162000    
 C   -4.960100      -1.287300     -0.9490000    
 C    3.542300       1.550600     -0.5572000    
 C    1.453000      -1.071500       1.036300    
 C    3.668300      -1.960600      0.6762000    
 C    1.326900       2.439800     -0.1975000    
 C    2.364800      -2.122800       1.136200    
 C    2.630300       2.601700     -0.6575000    
 C   -1.386400       1.298500     -0.1673000    
 C   -2.601600      0.4917000      0.2120000    
 H   -6.912400     -0.8688000       1.493900    
 H   -7.750700     -0.2151000      5.7999998E-02
 H   -6.962300      -1.993600      -1.213000    
 H   -6.123400      -2.648100      0.2222000    
 H    4.547200       1.774800     -0.8921000    
 H   0.4423000      -1.231500       1.405200    
 H    4.344900      -2.803700      0.7768000    
 H   0.6340000       3.273500     -0.2723000    
 H    2.056300      -3.067700       1.574200    
 H    2.941300       3.551700      -1.082600    
 H   -1.053300      0.9634000      -1.157000    
 H   -1.664400       2.357200     -0.1911000    
 H    6.467500      7.6499999E-02   1.553600    


%chk=000145951-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000145951

0 1
S 6.239002 -0.221847 0.271635
O -0.326280 0.016080 -0.072997
O -3.836014 0.792402 -0.608055
O -5.342649 1.207073 1.824925
O -5.256593 -1.098065 -2.286548
O 6.217967 1.067750 1.613979
O 7.144245 -1.473919 0.751933
O 6.607591 0.527810 -1.116269
O -2.831260 -1.058310 0.487826
N -5.091293 0.197434 -0.305652
C 3.392210 0.212012 -0.027618
C 2.034439 -0.275647 0.142660
C -7.074069 -0.328013 0.837877
C -7.045049 -1.087673 -0.518200
C 4.416817 -0.681275 0.420707
C 0.947993 0.573120 -0.280018
C -5.768585 0.469130 0.916708
C -5.722682 -0.716351 -1.197203
C 3.616398 1.504251 -0.607486
C 1.789971 -1.561305 0.720503
C 4.192872 -1.931407 0.986339
C 1.183794 1.830974 -0.840993
C 2.846246 -2.376983 1.132643
C 2.529034 2.283493 -0.998764
C -1.473880 0.814982 -0.458808
C -2.712548 0.011662 -0.101348
H -7.122793 -1.005030 1.707275
H -7.922732 0.371995 0.920870
H -7.877330 -0.807688 -1.186094
H -7.078736 -2.183357 -0.396238
H 4.635973 1.867881 -0.752405
H 0.753444 -1.890996 0.831417
H 5.037955 -2.550743 1.304091
H 0.364440 2.478900 -1.164454
H 2.650311 -3.359006 1.572806
H 2.702529 3.269393 -1.442112
H -1.481892 1.029943 -1.546254
H -1.506321 1.779495 0.088525
H 7.134475 1.470436 1.650498


