%chk=000240362.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240362

0 1
S 4.664480 0.654675 -0.221847
O -3.801973 -1.635606 -0.688372
O 6.041135 1.040811 0.681870
O 4.341372 1.855139 -0.935508
O 4.978297 -0.557333 -0.923355
O -3.993428 1.768436 -0.510655
O -4.604026 0.759271 1.422985
C -0.127365 -0.050799 0.469786
C 2.294663 -0.195975 0.693644
C -0.159873 -1.343881 -0.120750
C 1.125934 0.507935 0.872633
C 3.607717 0.362247 1.141865
C 2.262383 -1.497028 0.090857
C 1.074686 -2.051644 -0.302455
C -1.348291 0.669276 0.652489
C -1.405563 -1.904430 -0.520772
C -2.552773 0.121349 0.275517
C -2.564479 -1.180113 -0.325618
C -3.826092 0.854933 0.506751
C -5.204280 2.571404 -0.469808
H 1.129453 1.502181 1.320373
H 4.080626 -0.335019 1.876862
H 3.467139 1.288584 1.746872
H 3.206019 -2.031292 -0.066981
H 1.047189 -3.038705 -0.765086
H -1.311355 1.666480 1.099775
H -1.423088 -2.890081 -0.976079
H -3.768104 -2.543382 -1.088646
H 6.794041 1.412044 0.205128
H -6.063068 1.930442 -0.692188
H -5.028057 3.307473 -1.261258
H -5.314020 3.041108 0.512769


%chk=000240362-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240362

0 1
S 4.535622 0.930486 -0.420519
O -3.828725 -2.019480 -0.811554
O 5.959747 1.547061 0.638332
O 3.836014 2.185688 -1.166881
O 5.031059 -0.333687 -1.303871
O -3.584036 2.142915 -0.016285
O -5.063359 0.347501 -0.097527
C -0.190156 -0.182022 0.365856
C 2.231357 -0.307105 0.814055
C -0.204532 -1.592203 0.030434
C 1.039304 0.434522 0.748215
C 3.497189 0.337856 1.216537
C 2.210971 -1.706792 0.470571
C 1.026768 -2.329936 0.091208
C -1.413337 0.552968 0.303787
C -1.437171 -2.191630 -0.355510
C -2.628101 -0.042370 -0.064549
C -2.625835 -1.447779 -0.408694
C -3.885646 0.766966 -0.069991
C -4.761209 3.039338 0.018761
H 1.045901 1.504435 0.989488
H 4.257231 -0.314576 1.669291
H 3.411183 1.302366 1.736077
H 3.147535 -2.274482 0.501787
H 1.023789 -3.394200 -0.169676
H -1.416102 1.618358 0.550476
H -1.450529 -3.256601 -0.623394
H -3.702426 -2.974676 -1.044971
H 6.651499 1.934453 0.029210
H -5.390464 2.879094 -0.872760
H -4.340487 4.054654 0.029984
H -5.363754 2.847377 0.922911


