%chk=000279686.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279686

0 1
S 1.739441 1.041140 -0.811221
O 2.578778 0.942867 -1.977605
O 1.034165 2.298231 -0.527595
O -0.526678 1.379508 -2.226054
O -5.847216 0.494691 2.572928
O -4.820057 2.295656 3.189155
N 2.677550 0.683493 0.587561
N -4.929939 1.296396 2.497669
C 0.504254 -0.243361 -0.733974
C 2.988614 1.848039 1.471788
C 3.858720 -0.202635 0.351704
C 3.521134 1.349513 2.825092
C 4.408856 -0.714668 1.693426
C 4.747098 0.447639 2.635170
C -0.801166 0.250640 -1.414498
C 1.003911 -1.513997 -1.356420
C -1.878984 0.536568 -0.380782
C 1.090410 -2.679716 -0.578808
C 1.368125 -1.554747 -2.712241
C -2.955547 -0.353605 -0.250959
C -1.803539 1.675068 0.435100
C 1.535790 -3.873068 -1.154087
C 1.812426 -2.750617 -3.280159
C 1.895524 -3.911803 -2.504491
C -3.957596 -0.109053 0.688327
C -2.799699 1.932544 1.375195
C -3.871180 1.033990 1.497268
H 0.280555 -0.442657 0.352615
H 2.053114 2.436655 1.623152
H 3.731321 2.532796 1.003561
H 4.660962 0.325341 -0.213399
H 3.537036 -1.066402 -0.274520
H 2.724679 0.790910 3.355553
H 3.772458 2.216120 3.464563
H 5.304412 -1.337242 1.510047
H 3.660698 -1.376487 2.172964
H 5.592554 1.034616 2.227750
H 5.087920 0.058104 3.612633
H -1.149999 -0.499621 -2.171970
H 0.812323 -2.660483 0.473624
H 1.328869 -0.643613 -3.319960
H -0.468549 2.241959 -1.706225
H -3.018753 -1.238850 -0.885942
H -0.952876 2.367466 0.334512
H 1.600705 -4.775141 -0.547218
H 2.098316 -2.774595 -4.331807
H 2.241097 -4.842577 -2.951261
H -4.806221 -0.793192 0.799576
H -2.755318 2.820980 2.015363


%chk=000279686-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000279686

0 1
S 2.102296 0.264751 -0.948875
O 3.485194 -0.356601 -1.540101
O 1.583426 1.734554 -1.525140
O -0.633163 0.679814 -2.593578
O -3.065679 1.540705 4.374077
O -3.268006 3.513488 3.246809
N 2.228210 0.328962 0.991082
N -2.943199 2.265476 3.310830
C 0.503995 -1.107956 -1.243282
C 1.839028 1.683002 1.492452
C 3.614130 -0.037071 1.417836
C 1.760176 1.584431 3.037233
C 3.578973 -0.187824 2.959919
C 3.110886 1.124456 3.630044
C -0.768844 -0.250815 -1.481911
C 0.937549 -2.066103 -2.289183
C -1.313603 0.413842 -0.206126
C 1.749961 -3.172579 -1.910398
C 0.569762 -1.912993 -3.657280
C -1.512027 -0.341029 0.980909
C -1.691856 1.779152 -0.225833
C 2.167837 -4.117120 -2.867770
C 0.987503 -2.862768 -4.610384
C 1.786182 -3.964913 -4.221810
C -2.046893 0.255922 2.136791
C -2.228749 2.395657 0.921551
C -2.390778 1.625001 2.092551
H 0.559927 -1.522598 -0.224815
H 0.862234 1.963314 1.067614
H 2.578799 2.458867 1.198077
H 4.356169 0.739814 1.131421
H 3.907593 -0.981501 0.930800
H 0.962143 0.868073 3.309343
H 1.468789 2.575007 3.434898
H 4.591300 -0.471659 3.305301
H 2.890127 -1.012666 3.224043
H 3.873155 1.913091 3.465666
H 3.021587 0.985779 4.723488
H -1.538997 -0.974986 -1.824065
H 2.050923 -3.290079 -0.862077
H -0.030010 -1.045942 -3.952536
H 0.162193 1.280648 -2.389105
H -1.258552 -1.406984 1.008706
H -1.567897 2.345673 -1.152377
H 2.791592 -4.964848 -2.565254
H 0.698454 -2.740981 -5.659832
H 2.112895 -4.696956 -4.968693
H -2.205795 -0.308884 3.059002
H -2.520444 3.449175 0.925082


