%chk=000085007.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000085007

0 1
S 2.200200 1.260319 -0.167572
O 0.660206 0.765866 0.270352
O 2.631888 2.172342 0.851068
O 2.085406 1.667830 -1.551983
N -0.021605 -1.071522 -1.087056
C 1.370390 -1.410605 -1.483526
C 2.349609 -1.469966 -0.292549
C 3.175027 -0.203764 -0.099346
C -0.277792 0.347565 -0.769014
C -1.631517 0.608225 -0.162392
C -2.426559 -0.452568 0.317069
C -0.764835 -2.079568 -0.432221
C -1.937579 -1.815779 0.190997
C -2.078875 1.934818 -0.044098
C -3.680891 -0.167500 0.896288
C -3.319472 2.203205 0.528225
C -4.119250 1.148547 0.997728
H 1.353707 -2.393029 -2.008192
H 1.707335 -0.674587 -2.255229
H 1.789715 -1.696714 0.642758
H 3.039210 -2.328659 -0.432626
H 3.981463 -0.159642 -0.864579
H 3.728476 -0.266024 0.864340
H -0.083385 0.964449 -1.688354
H -0.381198 -3.099332 -0.534915
H -2.544998 -2.615176 0.605899
H -1.448624 2.753041 -0.394344
H -4.300084 -0.982143 1.265173
H -3.669274 3.229495 0.617136
H -5.087895 1.367074 1.446063


%chk=000085007-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085007

0 1
S 2.325191 1.356475 -0.067925
O 0.652074 0.760582 0.530948
O 2.965504 2.336590 1.043708
O 2.150957 1.859298 -1.614013
N -0.021316 -1.075357 -0.947060
C 1.310880 -1.405016 -1.495162
C 2.420211 -1.533838 -0.390116
C 3.327074 -0.323715 -0.157444
C -0.278322 0.315261 -0.643757
C -1.665473 0.591340 -0.138081
C -2.474786 -0.476127 0.366903
C -0.791066 -2.089385 -0.369431
C -1.979886 -1.838627 0.272814
C -2.143638 1.922907 -0.113619
C -3.757499 -0.163642 0.904928
C -3.417113 2.213036 0.412084
C -4.221830 1.162429 0.929071
H 1.229022 -2.365200 -2.032807
H 1.588842 -0.628742 -2.231555
H 1.934766 -1.828035 0.556348
H 3.099483 -2.361412 -0.678344
H 4.023046 -0.115512 -0.986534
H 3.847937 -0.351321 0.811837
H 0.025926 0.959403 -1.489151
H -0.402740 -3.104085 -0.500450
H -2.568407 -2.669323 0.670038
H -1.505187 2.730166 -0.490410
H -4.382589 -0.974985 1.296332
H -3.782466 3.244970 0.430084
H -5.209796 1.388062 1.345865


