%chk=000242849.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242849

0 1
S 0.643071 -1.654695 -0.064631
O -3.970099 3.195084 -0.138447
O -2.815274 -2.845321 1.665388
O -0.755454 -2.975788 0.982740
O -5.232704 1.670535 0.907123
O 4.501228 1.457129 1.799169
N 2.820864 -0.054783 1.296200
N -1.827217 -2.375394 1.137084
C -0.683306 -0.508731 0.019524
C -1.851681 -1.002639 0.636184
C 1.907448 -0.737725 -0.868511
C 2.892021 -0.052444 -0.127196
C -0.659418 0.803004 -0.470672
C -2.960373 1.104012 0.268524
C -2.998970 -0.201563 0.762477
C -1.788872 1.603622 -0.347648
C 1.968435 -0.776182 -2.264506
C 3.926958 0.615504 -0.816110
C 2.998146 -0.120646 -2.938348
C 3.971237 0.575485 -2.206634
C -4.167261 1.943059 0.405223
C 3.639134 0.692763 2.175691
H 0.242540 1.197573 -0.949485
H -3.904810 -0.601953 1.242484
H -1.786799 2.633540 -0.726657
H 1.209344 -1.321120 -2.830486
H 4.694567 1.164858 -0.257766
H 3.050135 -0.150095 -4.024459
H 4.776658 1.091611 -2.732769
H 2.121707 -0.680555 1.716899
H 3.397822 0.506097 3.236914
H -4.778778 3.772457 -0.053000


%chk=000242849-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242849

0 1
S 0.756870 -1.854874 -0.077121
O -3.819550 3.272008 -0.127021
O -3.249941 -2.752519 1.755225
O -1.109112 -3.280189 1.178262
O -5.169662 1.703016 0.934015
O 4.466941 1.582833 1.902222
N 2.818101 0.019622 1.235078
N -2.107489 -2.454667 1.238678
C -0.676197 -0.702459 0.079920
C -1.909710 -1.098405 0.683582
C 1.991720 -0.760007 -0.936088
C 2.915026 0.026597 -0.179309
C -0.595114 0.625679 -0.415780
C -2.894930 1.099104 0.285480
C -3.003308 -0.212856 0.783918
C -1.677253 1.513391 -0.316849
C 2.075841 -0.809287 -2.343491
C 3.899946 0.785871 -0.871776
C 3.058834 -0.057757 -3.024885
C 3.959571 0.737795 -2.279567
C -4.070430 2.002532 0.413360
C 3.560181 0.748111 2.161521
H 0.331340 0.959733 -0.890373
H -3.930696 -0.556404 1.251691
H -1.591301 2.532394 -0.703336
H 1.368279 -1.434632 -2.897420
H 4.597310 1.394601 -0.292979
H 3.119692 -0.096842 -4.116829
H 4.725619 1.325402 -2.797219
H 2.120111 -0.631945 1.617051
H 3.249498 0.502648 3.202006
H -4.629886 3.838205 -0.017666


