%chk=000290012.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290012

0 1
S -2.533710 -2.406241 -0.008303
O -3.448329 -2.550739 1.105308
O -3.006606 -2.710033 -1.343832
O -0.704035 1.934354 -1.200984
O 2.685102 0.949950 -0.567030
O -0.009434 2.200568 0.944289
O 2.414721 -0.678273 0.988014
C -0.385756 -0.906122 0.402535
C -1.854462 -0.767375 0.003201
C 0.090086 -2.344480 0.074765
C -1.053935 -3.318539 0.320174
C 0.500259 0.144676 -0.313974
C -0.062696 1.534544 -0.057714
C 1.943694 0.056308 0.155503
C -1.372845 3.240508 -1.199168
C 4.120624 1.056327 -0.275923
C -2.683627 3.146572 -0.450050
C 4.859189 -0.110024 -0.893444
H -0.285046 -0.740967 1.508929
H -1.974820 -0.273679 -0.985311
H -2.400114 -0.096685 0.695567
H 0.438577 -2.418589 -0.974524
H 0.975243 -2.595227 0.698780
H -1.034992 -3.715881 1.355093
H -0.960307 -4.220971 -0.314000
H 0.486021 -0.044419 -1.427039
H -1.497658 3.404200 -2.285879
H -0.682383 3.984833 -0.764215
H 4.348375 2.026703 -0.755622
H 4.249257 1.116799 0.819469
H -2.521144 2.983931 0.626247
H -3.306480 2.320898 -0.817607
H -3.268872 4.069780 -0.552281
H 4.606568 -0.235877 -1.954308
H 4.615283 -1.054531 -0.383937
H 5.946252 0.024901 -0.825932


%chk=000290012-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000290012

0 1
S -2.686502 -2.562824 0.142390
O -3.668440 -2.605453 1.448887
O -3.206972 -3.054932 -1.330586
O -0.676193 2.005971 -1.251965
O 2.717289 0.941411 -0.584956
O 0.020196 2.123062 0.976567
O 2.382905 -0.708824 1.029392
C -0.398926 -0.968562 0.325134
C -1.879300 -0.788585 -0.056471
C 0.045363 -2.421849 -0.049284
C -0.965916 -3.410954 0.525241
C 0.491511 0.099497 -0.373199
C -0.053215 1.513234 -0.112727
C 1.945803 0.034181 0.123329
C -1.310500 3.363832 -1.137232
C 4.165608 1.047656 -0.202749
C -2.718527 3.259102 -0.547240
C 5.001248 0.017145 -0.964831
H -0.279346 -0.844312 1.417967
H -2.046631 -0.537618 -1.114931
H -2.455824 -0.143942 0.621203
H 0.095740 -2.530937 -1.149915
H 1.047920 -2.611811 0.368668
H -0.943123 -3.497526 1.622516
H -1.017143 -4.389091 0.027657
H 0.490942 -0.059679 -1.467097
H -1.318323 3.725182 -2.177241
H -0.655256 3.997634 -0.514732
H 4.424141 2.081717 -0.478949
H 4.245177 0.911304 0.889587
H -2.684330 2.913253 0.499415
H -3.346709 2.570066 -1.137799
H -3.198204 4.255058 -0.561298
H 4.860678 0.122045 -2.054308
H 4.734318 -1.009753 -0.663967
H 6.072539 0.172503 -0.739680


