%chk=000051672.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051672

0 1
 S   -2.965300       1.506900     -0.6379000    
 S  -0.6014000       3.319500     -0.8396000    
 P   -3.675900     -6.4800002E-02  0.5560000    
 O   -2.742100      -1.381900      0.4245000    
 O   -3.807400      0.3773000       1.989500    
 O    3.035300       2.639900      0.5571000    
 O    1.792600       1.568800      -1.060700    
 C  -1.9300001E-02  -2.014200     -0.3613000    
 C    1.239200      -2.883100     -0.3084000    
 C   -1.246000      -2.840200     -0.7456000    
 C    2.497200      -2.108800      9.5299996E-02
 C    3.740300      -2.990700      0.2199000    
 C   -2.496500      -1.977700     -0.8419000    
 C    4.943700      -2.188600      0.6918000    
 C   -5.259900     -0.5971000     -9.3300000E-02
 C   -1.375400       1.971200      9.1700003E-02
 C   0.9053000       3.496200      0.1444000    
 C    1.924700       2.446000     -0.2187000    
 C    4.110800       1.721300      0.3372000    
 H   0.1267000      -1.207300      -1.089700    
 H  -0.1713000      -1.542700      0.6167000    
 H    1.404000      -3.346600      -1.289000    
 H    1.080100      -3.701000      0.4055000    
 H   -1.400500      -3.618100      1.2100000E-02
 H   -1.077400      -3.340700      -1.705800    
 H    2.313300      -1.608500       1.054400    
 H    2.684400      -1.318900     -0.6425000    
 H    3.549100      -3.802100      0.9316000    
 H    3.966200      -3.453100     -0.7478000    
 H   -3.356700      -2.599700      -1.107600    
 H   -2.371600      -1.210800      -1.611400    
 H    4.753600      -1.730300       1.667500    
 H    5.818300      -2.839700      0.7871000    
 H    5.188900      -1.394900     -2.1000000E-02
 H   -5.993200      0.2100000     -8.3999997E-03
 H   -5.629600      -1.458700      0.4696000    
 H   -5.182600     -0.8779000      -1.147200    
 H  -0.7250000       1.093200      9.1700003E-02
 H   -1.546100       2.288500       1.123900    
 H    1.333800       4.478700     -7.6099999E-02
 H   0.6688000       3.438400       1.210600    
 H    4.969500       2.056000      0.9251000    
 H    4.395400       1.703500     -0.7192000    
 H    3.818900      0.7246000      0.6776000    


%chk=000051672-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051672

0 1
S -2.731614 1.394359 -1.749418
S -1.819180 4.250648 -0.699472
P -1.379330 0.591728 -0.036162
O -1.411093 -1.126019 -0.259567
O 0.071842 1.274066 -0.053966
O 1.246448 6.377323 -0.898299
O 0.961781 4.752854 -2.544225
C 0.654500 -3.319207 0.081103
C 0.956095 -4.795411 0.422139
C -0.360422 -3.164313 -1.072313
C 1.992723 -4.955986 1.557064
C 2.295771 -6.431090 1.906261
C -0.672951 -1.708118 -1.422010
C 3.339510 -6.580505 3.034328
C -2.358201 0.723869 1.530331
C -1.724952 2.960105 -2.077392
C 0.031412 4.404104 -0.284880
C 0.775441 5.150392 -1.369042
C 1.987097 7.200375 -1.887002
H 1.599070 -2.803853 -0.191784
H 0.262238 -2.802198 0.978110
H 1.325295 -5.317219 -0.486120
H 0.013648 -5.305785 0.712189
H -1.306958 -3.680516 -0.818493
H 0.033036 -3.652047 -1.988351
H 1.627295 -4.432932 2.465555
H 2.936228 -4.448307 1.266218
H 1.353847 -6.936374 2.203234
H 2.654982 -6.954198 0.996345
H -1.328631 -1.625066 -2.308653
H 0.254242 -1.126250 -1.592937
H 2.990487 -6.092172 3.963875
H 3.538977 -7.643183 3.265327
H 4.299820 -6.110118 2.750080
H -2.537235 1.792272 1.725138
H -1.783669 0.270038 2.353013
H -3.316570 0.200438 1.398956
H -2.154177 3.385952 -2.995658
H -0.667504 2.706186 -2.235529
H 0.075867 4.943317 0.672021
H 0.408324 3.371617 -0.172335
H 2.282666 8.102907 -1.334477
H 1.331873 7.449355 -2.738513
H 2.868871 6.650863 -2.256991


