%chk=000210294.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210294

0 1
S 8.280473 -0.198755 0.408102
S 8.259604 1.783783 -0.130185
O 6.927882 2.198001 0.805173
O 9.400152 2.429249 0.420624
O 7.855510 1.963003 -1.484045
N 4.375520 -1.248742 0.044152
C -4.745132 -0.084653 -0.288257
C -6.120092 0.509854 0.117885
C -3.598547 0.906530 0.005713
C -4.466741 -1.408197 0.456242
C -1.963366 -1.006287 0.334270
C -2.238680 0.322600 -0.396992
C -3.109643 -2.001010 0.056366
C -7.265994 -0.482915 -0.175873
C -6.397193 1.834063 -0.626848
C -8.626041 0.099069 0.233073
C -7.752390 2.428957 -0.220437
C -0.614225 -1.616864 -0.096129
C -8.895395 1.435827 -0.471387
C 0.581666 -0.822345 0.444773
C 1.911173 -1.453225 0.012679
C 3.103957 -0.654993 0.562705
C 5.584490 -0.610290 0.649663
C 6.744765 -0.861357 -0.312612
H -4.759057 -0.292767 -1.384891
H -6.106659 0.718267 1.214385
H -3.594134 1.166945 1.080829
H -3.767787 1.856219 -0.536752
H -5.267335 -2.141548 0.241474
H -4.496014 -1.237128 1.548863
H -1.932642 -0.805934 1.432883
H -1.437328 1.050509 -0.172221
H -2.206533 0.164314 -1.491527
H -3.120692 -2.273964 -1.015681
H -2.937425 -2.942088 0.610052
H -7.093729 -1.435027 0.360461
H -7.275265 -0.735339 -1.252903
H -6.376944 1.660219 -1.719174
H -5.593652 2.565267 -0.418191
H -9.429633 -0.621803 -0.006008
H -8.658092 0.241510 1.330218
H -7.935088 3.363842 -0.781874
H -7.731557 2.712561 0.849221
H -0.552964 -2.663654 0.259790
H -0.561053 -1.675378 -1.200031
H -9.012751 1.268139 -1.559059
H -9.852698 1.863018 -0.120910
H 0.528054 0.225262 0.087587
H 0.527438 -0.768380 1.549329
H 1.960500 -2.504904 0.353164
H 1.972751 -1.493188 -1.094492
H 3.052913 0.397440 0.202197
H 3.061596 -0.617052 1.672564
H 4.390472 -2.257597 0.228506
H 5.817402 -0.992185 1.667696
H 5.415080 0.489594 0.762233
H 6.917916 -1.943632 -0.485173
H 6.536188 -0.424747 -1.314369
H 6.618473 3.115905 0.778552


%chk=000210294-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210294

0 1
S 6.637420 0.550720 -1.788030
S 5.222460 2.319992 -0.644000
O 6.042075 2.391765 1.065094
O 5.347438 3.795970 -1.295269
O 3.739164 1.697810 -0.403436
N 4.729535 -1.744820 1.142773
C -4.363006 0.007177 -0.352960
C -5.753612 0.645244 -0.025480
C -3.185812 0.875968 0.170083
C -4.221136 -1.432475 0.211843
C -1.672608 -1.180416 0.475211
C -1.799802 0.248228 -0.107804
C -2.831291 -2.051587 -0.068248
C -6.940581 -0.246921 -0.486057
C -5.904923 2.062598 -0.646579
C -8.319610 0.392776 -0.194699
C -7.283617 2.702511 -0.354782
C -0.294940 -1.825764 0.177270
C -8.442398 1.796686 -0.827642
C 0.889062 -1.166057 0.921134
C 2.249122 -1.824903 0.598708
C 3.396683 -1.202515 1.436995
C 5.777967 -0.943342 0.542134
C 5.610053 -0.808547 -1.019814
H -4.274096 -0.055213 -1.462407
H -5.821017 0.751480 1.082346
H -3.311236 1.018083 1.265489
H -3.216040 1.882901 -0.285765
H -4.997547 -2.093171 -0.216716
H -4.395433 -1.403122 1.309324
H -1.790244 -1.111100 1.580845
H -1.011208 0.909234 0.300703
H -1.633846 0.196539 -1.205413
H -2.700321 -2.175639 -1.164926
H -2.779317 -3.067204 0.374063
H -6.893999 -1.235489 0.007613
H -6.845120 -0.429214 -1.578556
H -5.764228 1.983407 -1.746320
H -5.111380 2.735407 -0.271843
H -9.126744 -0.269929 -0.564578
H -8.455319 0.478412 0.903974
H -7.346698 3.696467 -0.839787
H -7.381082 2.873694 0.737954
H -0.334350 -2.901150 0.453419
H -0.108795 -1.791771 -0.917352
H -8.407602 1.704236 -1.933259
H -9.419303 2.252222 -0.572913
H 0.948691 -0.090775 0.662655
H 0.702836 -1.218834 2.014788
H 2.192156 -2.916979 0.793892
H 2.478000 -1.700520 -0.478296
H 3.430716 -0.113969 1.252338
H 3.163305 -1.352734 2.513675
H 4.839554 -2.760542 1.161353
H 6.769714 -1.383764 0.752486
H 5.766049 0.062637 1.000408
H 5.974211 -1.735702 -1.500025
H 4.554303 -0.650364 -1.301501
H 6.009250 3.346370 1.371292


