%chk=000250742.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250742

0 1
S -2.139285 -0.135714 1.417890
O 3.355933 -0.914048 -0.091545
O -0.863444 -2.673600 0.478598
O 1.739842 3.676273 -0.686059
O -4.513243 1.128876 -1.415795
O -2.722240 2.089722 -0.496555
N 1.639651 0.547915 0.339376
N 1.251248 -1.848815 0.206705
N -0.174895 2.068155 0.773151
C 2.641462 1.650633 0.310628
C 0.269843 0.781180 0.612149
C 2.164294 -0.792640 0.130687
C -0.566259 -0.327420 0.768328
C 1.769561 -3.222590 -0.108878
C -0.170117 -1.680566 0.505117
C 2.530771 2.507577 -0.958872
C 1.891657 -3.435728 -1.612405
C -3.242529 -0.258772 -0.011620
C -3.398051 1.088788 -0.611073
H 3.664722 1.189459 0.370763
H 2.530901 2.278814 1.223921
H 2.757112 -3.350813 0.390066
H 1.056707 -3.957587 0.338295
H 1.968107 2.003926 -1.771588
H 3.521904 2.805663 -1.341801
H 0.929551 -3.298943 -2.122202
H 2.612021 -2.740528 -2.063529
H 2.236238 -4.453323 -1.833613
H -1.196134 2.233517 0.781120
H 0.372343 2.864374 0.430406
H -4.216096 -0.677328 0.331331
H -2.867481 -1.000498 -0.753186
H 2.276015 4.363332 -0.238718
H -4.655008 2.018408 -1.838791


%chk=000250742-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250742

0 1
S -2.163167 0.069112 1.684918
O 3.337726 -0.917311 -0.348476
O -0.921861 -2.596202 0.667763
O 1.741672 3.768594 -0.575617
O -4.181671 0.445992 -1.862238
O -2.741106 1.908292 -0.782172
N 1.678044 0.593105 0.336110
N 1.208068 -1.752425 0.147053
N -0.027690 2.156961 0.866007
C 2.722919 1.647860 0.356748
C 0.348908 0.850974 0.723161
C 2.139760 -0.724797 0.023253
C -0.520076 -0.232001 0.958284
C 1.645571 -3.123080 -0.238882
C -0.150537 -1.585638 0.621574
C 2.687703 2.648598 -0.816511
C 1.489256 -3.376392 -1.750488
C -3.270488 -0.313710 0.212384
C -3.329437 0.805610 -0.809509
H 3.677400 1.096211 0.307595
H 2.669636 2.188590 1.320853
H 2.699642 -3.230669 0.064632
H 1.014464 -3.819361 0.335821
H 2.345041 2.153726 -1.738505
H 3.704035 3.051289 -0.987165
H 0.434394 -3.270242 -2.057204
H 2.110481 -2.674787 -2.333742
H 1.814734 -4.404689 -1.991637
H -1.032738 2.300280 1.013417
H 0.516754 2.913721 0.411948
H -4.281957 -0.509229 0.608314
H -2.906825 -1.250419 -0.243202
H 2.213085 4.522825 -0.145255
H -4.216641 1.186910 -2.526931


