%chk=000258305.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258305

0 1
S 2.730233 0.025356 -0.049239
S -2.730347 -0.025643 -0.049102
O 2.838187 -0.706259 -1.297439
O 2.838531 -0.696307 1.204719
O -2.838331 0.696553 -1.302772
O -2.838604 0.705441 1.199390
N 1.203301 0.857874 -0.052329
N -1.203420 -0.858166 -0.045975
C 0.384737 0.665402 -1.281871
C 0.384734 0.674532 1.178605
C -0.384833 -0.674840 -1.276896
C -0.384878 -0.665680 1.183579
C 3.854731 1.379224 -0.054763
C -3.854849 -1.379511 -0.044396
C 5.280834 0.855888 -0.052947
C -5.280950 -0.856171 -0.046497
H 1.036858 0.721307 -2.182491
H -0.331276 1.519719 -1.358558
H -0.331242 1.529418 1.248974
H 1.036871 0.737075 2.078787
H -1.036941 -0.737438 -2.177086
H 0.331182 -1.529703 -1.347220
H 0.331093 -1.520021 1.260317
H -1.037034 -0.721527 2.084186
H 3.690687 2.040645 -0.932130
H 3.690984 2.047523 0.817436
H -3.690825 -2.047527 -0.916757
H -3.691088 -2.041218 0.832812
H 6.004721 1.682479 -0.055886
H 5.497208 0.246238 0.837811
H 5.497126 0.239938 -0.939375
H -6.004839 -1.682759 -0.043184
H -5.497302 -0.239818 0.839641
H -5.497258 -0.246925 -0.937542


%chk=000258305-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258305

0 1
S 2.787223 0.001514 -0.047925
S -2.787341 -0.001802 -0.050538
O 2.946635 -0.803140 -1.466047
O 2.947520 -0.789267 1.377841
O -2.947507 0.789364 -1.476109
O -2.946888 0.802468 1.367783
N 1.116310 1.003752 -0.051708
N -1.116426 -1.004037 -0.046780
C 0.348623 0.687821 -1.296058
C 0.347635 0.695164 1.193836
C -0.347755 -0.695448 -1.292326
C -0.348736 -0.688105 1.197568
C 4.058097 1.468541 -0.055681
C -4.058214 -1.468833 -0.043332
C 5.470490 0.893108 -0.053413
C -5.470608 -0.893401 -0.045695
H 1.031300 0.751227 -2.160311
H -0.410746 1.488424 -1.391675
H -0.411850 1.496258 1.284153
H 1.029718 0.763576 2.058174
H -1.029834 -0.763855 -2.156668
H 0.411732 -1.496539 -1.382646
H 0.410632 -1.488711 1.293182
H -1.031417 -0.751516 2.061817
H 3.787126 2.026427 -0.965060
H 3.787861 2.035459 0.848309
H -3.787838 -2.035536 -0.947416
H -3.787384 -2.026935 0.865955
H 6.198925 1.725032 -0.057700
H 5.652200 0.281575 0.846900
H 5.651564 0.272865 -0.947877
H -6.199043 -1.725327 -0.041849
H -5.651869 -0.273458 0.848938
H -5.652131 -0.281565 -0.945842


