%chk=000257858.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257858

0 1
S 3.879375 -1.495488 0.060579
S -3.877692 -1.500045 0.065930
O 2.829701 -0.256471 -0.401320
O -2.830087 -0.260015 -0.397990
O 3.492440 -2.665323 -0.679855
O 3.873164 -1.525175 1.498610
O -3.869226 -1.529260 1.503955
O -3.490628 -2.669692 -0.674729
C 1.132596 2.068304 0.490030
C -1.135592 2.066716 0.490584
C 0.782548 0.894929 -0.483468
C -0.784372 0.893809 -0.483064
C -0.001167 1.966277 1.547330
C 0.774190 3.400643 -0.227449
C -0.779412 3.399540 -0.227086
C 1.436691 -0.417108 -0.046619
C -1.436326 -0.419147 -0.045655
C 5.344547 -0.803408 -0.558437
C -5.344564 -0.809748 -0.551044
H 2.158733 2.023782 0.872862
H -2.161481 2.020718 0.873911
H 1.154939 1.128381 -1.507622
H -1.157654 1.126618 -1.507008
H -0.000381 1.030948 2.118309
H -0.001566 2.786523 2.274993
H 1.189088 3.450768 -1.243414
H 1.176655 4.264011 0.322652
H -1.182847 4.262354 0.323171
H -1.194852 3.449050 -1.242864
H 1.045043 -1.289182 -0.605865
H 1.363765 -0.590142 1.043708
H -1.361318 -0.592519 1.044475
H -1.044576 -1.290514 -0.605941
H 6.230878 -1.432654 -0.383526
H 5.313422 -0.630258 -1.646972
H 5.582078 0.175920 -0.111279
H -5.315068 -0.636336 -1.639584
H -6.229848 -1.440186 -0.375125
H -5.582795 0.169179 -0.103383


%chk=000257858-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257858

0 1
S 3.950784 -1.638644 0.091334
S -3.950647 -1.640113 0.104345
O 2.905542 -0.118984 -0.228696
O -2.906288 -0.122634 -0.228569
O 3.400366 -2.858795 -0.821940
O 4.156645 -1.851881 1.681886
O -4.159092 -1.837724 1.696576
O -3.397424 -2.868717 -0.795804
C 1.139614 2.164683 0.503764
C -1.141669 2.163763 0.505223
C 0.797213 0.975761 -0.452817
C -0.799544 0.975052 -0.451658
C -0.000318 2.076166 1.557996
C 0.785964 3.494001 -0.227344
C -0.790017 3.493361 -0.226363
C 1.453456 -0.346209 -0.015102
C -1.454134 -0.347308 -0.012605
C 5.506963 -0.873249 -0.675291
C -5.506294 -0.883994 -0.672488
H 2.172296 2.119798 0.883486
H -2.173832 2.118060 0.886266
H 1.163110 1.186532 -1.475106
H -1.166991 1.185220 -1.473523
H 0.000438 1.138154 2.142534
H -0.000213 2.924268 2.265264
H 1.211258 3.529148 -1.246799
H 1.185264 4.361432 0.328717
H -1.189349 4.360494 0.330137
H -1.216608 3.528094 -1.245291
H 1.127605 -1.198016 -0.641596
H 1.268402 -0.571068 1.052945
H -1.270030 -0.569800 1.056130
H -1.126278 -1.199889 -0.636922
H 6.300920 -1.623589 -0.559481
H 5.259739 -0.672517 -1.725209
H 5.703965 0.043835 -0.105514
H -5.257407 -0.693201 -1.723863
H -6.299624 -1.634067 -0.550795
H -5.705384 0.038375 -0.112028


