%chk=000258293.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258293

0 1
S 2.733391 1.716281 0.035462
O 0.519976 0.351120 3.065669
O -2.301071 -2.238719 -0.431778
O -3.310494 2.602033 -0.462931
O -4.110306 -0.120245 -1.257437
N 2.408767 -0.650722 1.101173
C 0.618376 0.973166 1.789086
C -0.614981 0.673550 0.947226
C 1.864550 0.532010 1.068945
C -1.447566 1.725367 0.572511
C -0.900714 -0.642356 0.564364
C -2.060565 -0.902619 -0.174915
C -2.619250 1.459508 -0.169643
C -2.952968 0.135984 -0.527527
C 3.918355 0.497630 -0.363470
C 3.584958 -0.714405 0.302161
C 5.037891 0.591469 -1.183757
C 4.391717 -1.851867 0.142369
C 5.832196 -0.546412 -1.335148
C 5.511650 -1.751008 -0.679701
C -2.601965 -2.574293 -1.814987
C -4.502641 2.505696 -1.286370
C -5.135420 -0.789117 -0.463599
H 0.679220 2.058014 2.073435
H -1.231542 2.757408 0.844569
H -0.234742 -1.468379 0.816535
H 5.288844 1.521205 -1.691430
H 4.135874 -2.778958 0.654196
H 0.526624 -0.635246 2.982532
H 6.716835 -0.505400 -1.970170
H 6.155638 -2.619521 -0.820609
H -3.397428 -1.937305 -2.218533
H -2.919317 -3.619322 -1.732434
H -1.683504 -2.480811 -2.401864
H -5.304824 2.034563 -0.712668
H -4.294499 1.941958 -2.202883
H -4.713820 3.561067 -1.494038
H -4.754198 -1.744759 -0.086728
H -5.936434 -0.934270 -1.194505
H -5.450012 -0.141997 0.358695


%chk=000258293-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258293

0 1
S 2.400472 1.523912 -0.491823
O 0.589657 0.298214 3.061740
O -2.362366 -2.239270 -0.591010
O -3.737790 2.499904 -0.103199
O -4.332178 -0.183287 -1.043011
N 2.558737 -0.442353 1.330170
C 0.584184 0.994025 1.772812
C -0.688785 0.689969 0.973568
C 1.830928 0.603667 0.998619
C -1.619794 1.715617 0.713121
C -0.935401 -0.622563 0.505635
C -2.123202 -0.903645 -0.193101
C -2.823020 1.440173 0.020304
C -3.098853 0.113804 -0.412124
C 3.752368 0.315747 -0.602510
C 3.649706 -0.642205 0.458727
C 4.789292 0.252490 -1.553021
C 4.603389 -1.680711 0.564262
C 5.734241 -0.791683 -1.432954
C 5.641392 -1.748046 -0.385498
C -2.522275 -2.443782 -2.049691
C -4.305485 2.756944 -1.445501
C -5.239694 -1.005218 -0.201411
H 0.615117 2.078226 1.995416
H -1.451811 2.740629 1.060292
H -0.221918 -1.434781 0.675534
H 4.868752 0.984344 -2.362360
H 4.518598 -2.407613 1.377321
H 1.244690 -0.451684 2.985714
H 6.549998 -0.861507 -2.160359
H 6.387718 -2.546310 -0.316893
H -3.362594 -1.844782 -2.443130
H -2.722459 -3.519184 -2.171584
H -1.585992 -2.173867 -2.574213
H -4.836279 1.869475 -1.826248
H -3.500421 3.050129 -2.146901
H -5.000276 3.598496 -1.302617
H -4.756287 -1.962906 0.061810
H -6.134255 -1.181029 -0.818368
H -5.511500 -0.449040 0.714288


