%chk=000235622.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235622

0 1
S -8.699118 2.168511 0.841289
O -8.197435 -2.621904 -0.600658
O -8.743438 1.988124 2.519176
O -8.019662 3.406700 0.585962
O -10.072409 1.984018 0.449462
O 10.801031 0.707198 0.055790
N -1.869418 -1.130414 -0.144941
N 4.557867 -0.428236 -0.200140
N 5.249326 0.614820 -0.297580
C -5.495250 -0.160030 0.090079
C -6.092989 -1.396280 -0.266571
C -7.696047 0.824798 0.418658
C -6.329202 0.953690 0.435396
C -7.528072 -1.471545 -0.267088
C -4.072219 -0.046430 0.090550
C -8.325712 -0.391389 0.063755
C -5.260211 -2.507879 -0.606206
C -3.290763 -1.137369 -0.241462
C -3.896781 -2.392641 -0.593690
C 0.339385 -0.292258 -0.598988
C -1.129688 -0.264552 -0.763965
C 1.124022 0.560046 -1.397466
C 0.961663 -1.142196 0.332382
C 3.125255 -0.289719 -0.334898
C 2.511153 0.566594 -1.267570
C 2.349034 -1.147256 0.466135
C 9.448465 0.535491 -0.017990
C 6.673300 0.496789 -0.190231
C 8.780348 -0.699078 0.015359
C 8.745906 1.758411 -0.136767
C 7.389079 -0.709454 -0.070271
C 7.364401 1.734005 -0.222507
C 11.654588 -0.480438 0.185377
C 13.049068 0.108607 0.237711
H -5.849527 1.901203 0.704494
H -3.620075 0.902899 0.375496
H -9.415928 -0.484322 0.041913
H -5.736819 -3.453677 -0.872652
H -3.246829 -3.235403 -0.836471
H -7.576656 -3.366056 -0.820149
H -1.505635 0.521341 -1.444568
H -9.584203 2.208130 2.947394
H 0.651670 1.223260 -2.122549
H 0.349243 -1.804365 0.952188
H 3.121380 1.231563 -1.880282
H 2.834267 -1.809657 1.184570
H 9.320249 -1.635534 0.106150
H 9.305328 2.692035 -0.157765
H 6.848162 -1.659849 -0.045098
H 6.797296 2.664158 -0.314123
H 11.374829 -1.007851 1.113244
H 11.490904 -1.121828 -0.697325
H 13.810635 -0.674077 0.333183
H 13.271739 0.691708 -0.667551
H 13.161093 0.797984 1.087006


%chk=000235622-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000235622

0 1
S -8.581981 2.336966 0.928773
O -8.361534 -2.570230 -0.711565
O -8.780717 1.873442 2.718606
O -7.645426 3.652984 0.836260
O -10.046194 2.323549 0.240089
O 10.841512 0.790074 -0.112997
N -1.882123 -1.411528 -0.278869
N 4.567085 -0.428545 -0.143488
N 5.222824 0.642058 -0.534065
C -5.469819 -0.246759 0.080290
C -6.166161 -1.454675 -0.320903
C -7.604183 0.817230 0.443288
C -6.220891 0.907428 0.478029
C -7.609657 -1.455928 -0.329022
C -4.040341 -0.223354 0.075156
C -8.338849 -0.324784 0.053576
C -5.382136 -2.599473 -0.686668
C -3.293673 -1.354243 -0.306575
C -3.991931 -2.559055 -0.668109
C 0.318751 -0.394106 -0.528337
C -1.142549 -0.391990 -0.651244
C 1.060781 0.741231 -0.971969
C 1.016691 -1.505056 0.027997
C 3.149941 -0.338122 -0.306337
C 2.458384 0.777035 -0.864736
C 2.414542 -1.475793 0.135182
C 9.456752 0.648933 -0.175456
C 6.633873 0.568253 -0.384192
C 8.747194 -0.518525 0.232625
C 8.752904 1.772022 -0.687941
C 7.348368 -0.553595 0.127992
C 7.356550 1.727645 -0.790263
C 11.645118 -0.339999 0.411078
C 13.104564 0.101238 0.366144
H -5.720446 1.832355 0.780435
H -3.528228 0.685242 0.412280
H -9.431223 -0.330139 0.029005
H -5.861750 -3.543640 -0.977893
H -3.393602 -3.437167 -0.928212
H -7.790256 -3.323869 -0.999409
H -1.592508 0.518649 -1.102153
H -9.379315 2.557929 3.138746
H 0.523666 1.596234 -1.402232
H 0.435247 -2.369083 0.363754
H 3.039958 1.640746 -1.199375
H 2.974151 -2.316416 0.557931
H 9.280210 -1.388760 0.626679
H 9.324057 2.653203 -0.993573
H 6.780691 -1.437247 0.435405
H 6.790662 2.578942 -1.181809
H 11.321315 -0.566519 1.446879
H 11.471460 -1.233190 -0.222252
H 13.754853 -0.706980 0.746984
H 13.409423 0.337595 -0.667296
H 13.260568 0.998183 0.988957


