%chk=000269909.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269909

0 1
S 2.994112 0.911907 -0.026110
S -2.376862 0.314330 1.689640
O -2.053478 1.569130 -1.180662
O 0.837501 -0.011642 2.054856
O 3.274469 1.976194 0.896714
O 3.359979 1.078175 -1.424744
O 0.013092 -0.787117 -2.349242
O -2.803459 1.625934 2.092599
O -1.944366 -0.651420 2.660977
N 1.242319 0.763029 -0.100785
N -0.957781 0.622458 0.641635
C 0.420827 1.290215 -1.228337
C -1.032734 1.205968 -0.661506
C 0.416479 0.400286 1.006157
C 0.736276 2.735732 -1.563301
C 0.553533 0.289537 -2.429187
C 3.518148 -0.599792 0.549820
C 1.362301 0.723730 -3.597020
C -3.485916 -0.407434 0.612068
C 4.009568 -1.556631 -0.352511
C 3.480021 -0.897421 1.921024
C -3.574330 -1.806866 0.541710
C -4.327675 0.380371 -0.185377
C 4.462171 -2.790230 0.105361
C 3.933573 -2.130924 2.384308
C 4.426166 -3.088687 1.481111
C -4.493759 -2.411427 -0.309703
C -5.253501 -0.220315 -1.038257
C -5.341869 -1.620300 -1.109364
C 4.896641 -4.410673 1.983197
C -6.314459 -2.273588 -2.031411
H 0.684709 3.385967 -0.675620
H 1.753222 2.853100 -1.975409
H 0.028527 3.142428 -2.299378
H 2.404019 0.969217 -3.286141
H 1.429770 -0.068507 -4.357220
H 0.960121 1.619793 -4.086776
H 4.042616 -1.329858 -1.425000
H 3.079562 -0.163072 2.634843
H -2.919979 -2.427990 1.165997
H -4.252702 1.475321 -0.147769
H 4.840192 -3.526410 -0.601821
H 3.892468 -2.354770 3.450072
H -4.554496 -3.496923 -0.361969
H -5.899530 0.401392 -1.655918
H 4.054590 -5.005248 2.373657
H 5.385700 -5.018586 1.210107
H 5.616160 -4.300867 2.808890
H -5.799583 -2.673348 -2.920156
H -6.832851 -3.118592 -1.555298
H -7.089901 -1.585278 -2.394949


%chk=000269909-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269909

0 1
S 3.242455 0.993052 0.236988
S -2.534833 0.900346 1.550526
O -1.765694 1.922308 -1.450343
O 0.779124 0.284374 2.202881
O 3.709471 1.961676 1.440916
O 3.736023 1.277207 -1.284417
O 1.318060 -0.526993 -2.152736
O -3.158352 2.387026 1.503713
O -2.207198 0.168826 2.948125
N 1.362987 1.139773 0.063277
N -0.833576 1.018786 0.547432
C 0.715387 1.637137 -1.157926
C -0.802006 1.560917 -0.735188
C 0.495109 0.754416 1.087015
C 1.080324 3.101096 -1.500965
C 0.899069 0.635791 -2.360470
C 3.548811 -0.799420 0.708444
C 0.489493 1.139677 -3.726281
C -3.511178 -0.274422 0.452533
C 3.664450 -1.738615 -0.326389
C 3.693197 -1.096659 2.073054
C -3.477610 -1.638248 0.786929
C -4.263414 0.264916 -0.600880
C 3.958758 -3.068994 0.046473
C 3.986096 -2.433953 2.409616
C 4.122069 -3.434758 1.408462
C -4.252543 -2.513376 -0.002538
C -5.032085 -0.638476 -1.367912
C -5.033932 -2.030765 -1.088083
C 4.425365 -4.869427 1.797843
C -5.842120 -2.993411 -1.936966
H 0.963758 3.731149 -0.603045
H 2.127635 3.158746 -1.839741
H 0.409874 3.487571 -2.285390
H 1.198456 1.914919 -4.072052
H 0.490740 0.305683 -4.444422
H -0.511773 1.606440 -3.678450
H 3.530094 -1.446937 -1.371223
H 3.577574 -0.319065 2.832935
H -2.887525 -1.994630 1.637203
H -4.246769 1.337235 -0.813381
H 4.058736 -3.830189 -0.734902
H 4.105066 -2.703650 3.465024
H -4.252819 -3.583973 0.231165
H -5.635716 -0.251650 -2.196014
H 3.571720 -5.320468 2.338367
H 4.632691 -5.496607 0.914712
H 5.300592 -4.926114 2.470363
H -5.185817 -3.542143 -2.639395
H -6.354671 -3.747939 -1.314301
H -6.603951 -2.467886 -2.536783


