%chk=000127259.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000127259

0 1
S 3.020384 -0.750843 0.115241
O -0.273357 0.016410 1.313350
O -2.460679 1.725749 0.901686
O 0.174654 1.900345 -1.736684
O 2.338788 0.578989 -0.670503
O -2.385012 -1.452136 0.855523
O -3.021810 -2.175632 -1.576319
O 1.623493 -1.563531 0.440044
O 3.746719 -1.465541 -0.870667
O 3.541041 -0.278829 1.357998
C -0.607976 0.429297 -0.029860
C -2.109912 0.783170 -0.104415
C 0.244829 1.690342 -0.328334
C -3.025734 -0.458250 0.047288
C 1.705110 1.585253 0.135561
C -3.403957 -1.060161 -1.310895
H -0.347586 -0.402521 -0.725062
H -2.333608 1.341901 -1.050507
H -0.240101 2.603849 0.103026
H -3.938668 -0.175043 0.633564
H 1.786842 1.379174 1.220858
H 2.257963 2.519579 -0.101052
H -0.949227 -0.680469 1.619332
H -2.078817 1.455787 1.776343
H 0.869145 1.361172 -2.199609
H -4.014028 -0.439551 -1.979692
H -2.122422 -2.242179 0.289786
H 1.025726 -1.135731 1.139298


%chk=000127259-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127259

0 1
S 3.142820 -0.802246 0.225668
O -0.263198 -0.200782 1.202492
O -2.398289 1.698036 1.117876
O 0.033343 2.096244 -1.743066
O 2.286838 0.534264 -0.798804
O -2.524665 -1.414088 0.969717
O -3.041221 -2.328778 -1.469484
O 1.733387 -1.718226 0.752314
O 3.962021 -1.673996 -0.824572
O 3.838301 -0.065925 1.477739
C -0.626115 0.453304 -0.091665
C -2.128967 0.825311 -0.025402
C 0.214976 1.732793 -0.326735
C -3.058412 -0.423572 0.020067
C 1.697687 1.617554 0.029278
C -3.254588 -1.098540 -1.335283
H -0.432271 -0.263230 -0.914994
H -2.377928 1.433558 -0.913055
H -0.224068 2.569657 0.244523
H -4.047823 -0.066631 0.376853
H 1.850838 1.428970 1.109088
H 2.221208 2.552154 -0.239679
H -1.042045 -0.844582 1.386122
H -1.963267 1.307826 1.922014
H 0.678965 1.560146 -2.276000
H -3.611271 -0.459403 -2.172789
H -2.591402 -2.315013 0.535261
H 0.946948 -1.044208 1.027815


