%chk=000283543.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000283543

0 1
S 2.377086 1.672896 0.357169
O 1.789048 2.164612 1.580770
O 3.395277 2.445796 -0.325574
O -4.204426 -1.963110 -0.979072
O -4.030450 -1.868646 1.272627
N 1.110085 1.501643 -0.831231
C -0.097633 0.803592 -0.591729
C 2.918110 0.059324 0.577149
C 1.258890 2.243765 -2.115978
C 2.444452 -0.710657 1.647862
C 3.856200 -0.488096 -0.307562
C -0.860991 0.297292 -1.672571
C -0.534003 0.569215 0.733729
C 3.823115 -2.574362 0.929925
C 2.889704 -2.018870 1.824471
C 4.306492 -1.796237 -0.136985
C -2.405032 -0.730323 -0.109134
C -1.997618 -0.462091 -1.427495
C -1.670804 -0.195021 0.964752
C 0.258798 3.361505 -2.250267
C 4.291238 -3.976251 1.123277
C -3.592626 -1.547079 0.188445
C -0.028463 3.930022 -3.418553
C -5.425761 -2.757385 -0.859026
C -6.598774 -1.851118 -0.546808
H 2.295273 2.676402 -2.172315
H 1.176591 1.527487 -2.967504
H 1.724426 -0.283043 2.356081
H 4.248106 0.115395 -1.134001
H -0.560673 0.499128 -2.698718
H -0.028322 1.033514 1.587195
H 2.513947 -2.612692 2.656662
H 5.035324 -2.213245 -0.829870
H -2.584690 -0.861731 -2.260449
H -2.011384 -0.379834 1.989165
H -0.207461 3.688232 -1.317335
H 3.451070 -4.687608 1.089798
H 4.778080 -4.105205 2.102597
H 5.014233 -4.300087 0.362276
H -0.730932 4.746250 -3.517445
H 0.409117 3.638163 -4.361690
H -5.269391 -3.530366 -0.085288
H -5.478867 -3.209902 -1.865591
H -6.649314 -1.003421 -1.241857
H -6.514021 -1.432070 0.467765
H -7.550725 -2.390683 -0.602466


%chk=000283543-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000283543

0 1
S 2.410475 1.865617 0.800840
O 1.845141 2.136631 2.297110
O 3.647801 2.728151 0.181504
O -3.929356 -2.087209 -0.653102
O -4.144309 -1.413326 1.574210
N 0.888353 2.203477 -0.472654
C -0.187347 1.294933 -0.284946
C 2.852846 0.037597 0.664401
C 1.457872 2.444760 -1.823456
C 2.186024 -0.879450 1.495729
C 3.840059 -0.332598 -0.262766
C -0.671254 0.443087 -1.323639
C -0.844558 1.278607 0.984980
C 3.516377 -2.674619 0.445645
C 2.529482 -2.242046 1.373199
C 4.166734 -1.703910 -0.360824
C -2.402678 -0.435790 0.173924
C -1.772719 -0.400022 -1.096774
C -1.925527 0.413995 1.209531
C 0.547065 3.383774 -2.591771
C 3.869054 -4.145999 0.332629
C -3.558595 -1.326153 0.464086
C 0.135792 3.177653 -3.866410
C -5.095605 -3.002528 -0.469440
C -6.413964 -2.258791 -0.702629
H 2.434376 2.943734 -1.657948
H 1.648126 1.516759 -2.405103
H 1.444680 -0.537089 2.223893
H 4.356648 0.426414 -0.859335
H -0.203715 0.455195 -2.311438
H -0.496248 1.955872 1.769531
H 2.026428 -2.978319 2.010614
H 4.941950 -2.019979 -1.067780
H -2.149957 -1.045264 -1.894908
H -2.433568 0.393621 2.179160
H 0.248315 4.287183 -2.043363
H 2.995232 -4.740368 0.006196
H 4.192291 -4.554746 1.307714
H 4.682578 -4.315878 -0.392279
H -0.486353 3.911843 -4.389126
H 0.415093 2.277421 -4.428973
H -5.051626 -3.427714 0.548764
H -4.926657 -3.791210 -1.220385
H -6.427534 -1.783039 -1.698466
H -6.566680 -1.484023 0.066928
H -7.258243 -2.971154 -0.647875


