%chk=000244273.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244273

0 1
S 6.406135 -2.051563 0.840755
S -6.407149 2.046155 0.858868
O 5.429042 -0.780105 0.265493
O -5.428698 0.779355 0.275654
O 2.923299 2.712277 -0.045686
O -2.923485 -2.710651 -0.064135
O 5.723650 -2.601432 1.973829
O 7.720775 -1.485887 0.980151
O -5.725010 2.590070 1.995001
O -7.721042 1.477975 0.995205
N 2.802828 0.406907 -0.074203
N -2.803054 -0.405139 -0.074738
C 5.001107 1.519541 -0.098188
C -5.001356 -1.517650 -0.105339
C 1.380924 0.234844 -0.055743
C -1.381121 -0.233239 -0.056295
C 5.603997 0.518701 0.877781
C -5.603424 -0.523923 0.878394
C 3.483839 1.631400 -0.055556
C -3.484044 -1.629729 -0.065028
C 0.885247 -1.085581 -0.054838
C -0.486729 -1.318900 -0.057071
C 0.486525 1.320479 -0.047216
C -0.885441 1.087147 -0.045545
C 6.284285 -3.087442 -0.540763
C -6.287047 3.090551 -0.516380
H 5.311676 1.265275 -1.137115
H 5.421624 2.533807 0.093175
H -5.421611 -2.533304 0.079128
H -5.312904 -1.255985 -1.142129
H 5.079463 0.501305 1.852760
H 6.687440 0.707965 1.027576
H -5.078132 -0.513717 1.853069
H -6.686760 -0.714231 1.027673
H 3.362317 -0.458717 -0.051385
H -3.362491 0.460308 -0.044815
H 1.566998 -1.934450 -0.047001
H -0.866336 -2.348065 -0.055914
H 0.866146 2.349601 -0.038368
H -1.567194 1.935922 -0.030469
H 5.668884 -2.659954 -1.352346
H 5.827239 -4.066393 -0.316569
H 7.258460 -3.310693 -1.007796
H -5.676506 2.666095 -1.333209
H -5.825506 4.066352 -0.287678
H -7.262257 3.320419 -0.977994


%chk=000244273-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244273

0 1
S 6.382564 -2.296731 0.460744
S -6.383215 2.293408 0.484765
O 5.233380 -0.814527 0.175468
O -5.235474 0.813063 0.185696
O 2.928100 2.877728 0.270672
O -2.929096 -2.879345 0.254008
O 5.738558 -3.295795 1.551560
O 7.878909 -1.707495 0.654091
O -5.739266 3.281820 1.585391
O -7.880053 1.703612 0.672059
N 2.795698 0.527021 0.237489
N -2.796986 -0.528468 0.236208
C 5.015367 1.608273 0.212487
C -5.016558 -1.609802 0.206398
C 1.389916 0.305159 0.243355
C -1.391204 -0.306578 0.242424
C 5.635672 0.402463 0.938480
C -5.636237 -0.409116 0.941293
C 3.480526 1.734843 0.254812
C -3.481675 -1.736455 0.246287
C 0.937702 -1.041251 0.244283
C -0.432882 -1.356078 0.240641
C 0.431597 1.354649 0.248975
C -0.938989 1.039796 0.251633
C 6.151702 -3.001000 -1.285800
C -6.150744 3.013851 -1.254907
H 5.341778 1.606201 -0.845653
H 5.413609 2.532104 0.668734
H -5.414182 -2.536809 0.656706
H -5.344113 -1.600551 -0.851349
H 5.270436 0.317462 1.978604
H 6.739732 0.477065 0.934895
H -5.269457 -0.330872 1.981404
H -6.740266 -0.484056 0.938706
H 3.391171 -0.313601 0.195384
H -3.392537 0.312345 0.199878
H 1.669406 -1.859219 0.255786
H -0.773673 -2.392724 0.242185
H 0.772398 2.391263 0.256909
H -1.670685 1.857671 0.268930
H 5.072260 -3.160292 -1.407603
H 6.721320 -3.940324 -1.310447
H 6.546783 -2.241909 -1.972242
H -5.071607 3.178187 -1.372646
H -6.723733 3.951274 -1.272667
H -6.541350 2.259445 -1.949027


