%chk=000236053.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236053

0 1
S 2.019157 -0.628656 -0.703033
O 2.723211 0.285307 0.536604
O 2.444240 -1.987195 -0.428099
O 2.482329 -0.041272 -1.940991
C -0.093731 1.032665 -0.539156
C -0.547287 -1.310366 -0.025813
C 0.367012 -0.303261 -0.408440
C 0.802776 2.188863 -0.970117
C -0.198932 -2.788201 0.095876
C -2.331466 0.349608 0.144980
C -3.779711 0.680464 0.459962
C -1.425937 1.342596 -0.242467
C -1.883931 -0.970885 0.235882
C 0.086910 3.123391 -1.955119
C 1.268267 2.941732 0.281807
C -0.686338 -3.362316 1.432684
C -0.802982 -3.540811 -1.096824
C -3.857779 1.647689 1.646739
C -4.475595 1.251718 -0.780794
C 4.144573 0.104839 0.740207
C 4.481350 0.954247 1.952793
H 1.716340 1.818036 -1.516978
H 0.917106 -2.964037 0.072248
H -4.314340 -0.262230 0.750010
H -1.766872 2.375781 -0.315520
H -2.584408 -1.756962 0.519083
H -0.737865 3.672467 -1.488856
H 0.787422 3.865975 -2.355967
H -0.317676 2.564519 -2.807443
H 1.863508 2.280151 0.933460
H 1.905055 3.791386 0.013915
H 0.429540 3.325187 0.870502
H -0.313580 -2.770496 2.276887
H -0.320455 -4.387732 1.565545
H -1.778704 -3.394833 1.503156
H -1.895278 -3.469696 -1.123960
H -0.542181 -4.605268 -1.053662
H -0.419447 -3.153318 -2.048207
H -3.339542 1.243363 2.524332
H -4.898263 1.836886 1.933230
H -3.401149 2.617072 1.416773
H -4.036602 2.205602 -1.094735
H -5.539667 1.429444 -0.589364
H -4.401318 0.563559 -1.631158
H 4.339191 -0.971804 0.914511
H 4.668544 0.447987 -0.171894
H 3.859261 0.672597 2.813395
H 5.532472 0.840879 2.239677
H 4.291473 2.017833 1.759343


%chk=000236053-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236053

0 1
S 2.073187 -0.692981 -0.762622
O 2.863394 0.345009 0.599303
O 2.560350 -2.220803 -0.502013
O 2.447416 -0.066406 -2.212812
C -0.120859 1.070659 -0.426233
C -0.617895 -1.342216 0.112456
C 0.254311 -0.295720 -0.299449
C 0.791140 2.230629 -0.858375
C -0.250593 -2.831958 0.192304
C -2.397308 0.388724 0.286207
C -3.849070 0.750732 0.606614
C -1.471382 1.372437 -0.122413
C -1.950440 -0.945261 0.395925
C 0.325779 2.809648 -2.220963
C 0.860569 3.323067 0.240565
C -1.054552 -3.611367 1.260383
C -0.435300 -3.486719 -1.207710
C -3.937903 1.712930 1.821868
C -4.572850 1.351412 -0.628269
C 4.331499 0.124813 0.686983
C 4.778853 0.898386 1.931127
H 1.818046 1.864228 -1.003723
H 0.818029 -2.920894 0.449810
H -4.375218 -0.185445 0.881422
H -1.795116 2.415538 -0.208855
H -2.662360 -1.713559 0.714577
H -0.704581 3.208561 -2.169612
H 0.994680 3.635695 -2.525024
H 0.362106 2.034411 -3.005994
H 1.239721 2.899338 1.187205
H 1.549005 4.127021 -0.079041
H -0.124955 3.785107 0.435269
H -1.014996 -3.115565 2.247293
H -0.622112 -4.622408 1.369202
H -2.115937 -3.742774 0.978204
H -1.488561 -3.416202 -1.539088
H -0.155679 -4.554971 -1.162328
H 0.203114 -3.006642 -1.969556
H -3.450565 1.279568 2.713591
H -4.994386 1.922654 2.071250
H -3.445029 2.678221 1.602080
H -4.107276 2.305422 -0.938113
H -5.633304 1.555799 -0.391603
H -4.536431 0.661391 -1.490203
H 4.535792 -0.958267 0.786948
H 4.822141 0.509578 -0.227747
H 4.278468 0.510291 2.834315
H 5.871909 0.789457 2.059658
H 4.543848 1.971935 1.832189


