./transitionstate1 POSCAR output for 41: 3.3A-->1.3A (Job 121) O-H...N hydrogen bond by TSA-OH, TSA-NH2 (TSS)
Status:
finished
No title
1.0
15.00000000 0.00000000 0.00000000
0.00000000 12.00000000 0.00000000
0.00000000 0.00000000 12.00000000
N Si O H
3 6 1 19
Direct
0.25057843 0.48841056 0.52341065 # 1 N1
0.78118475 0.46601314 0.54729860 # 2 N3
0.62918339 0.42350428 0.41425790 # 3 N4
0.31923600 0.60328844 0.54402368 # 4 Si1
0.13539389 0.49895621 0.49937724 # 5 Si2
0.29557908 0.35322155 0.52847783 # 6 Si3
0.74165786 0.44859953 0.41097935 # 7 Si4
0.88433541 0.52724829 0.57448246 # 8 Si5
0.71667758 0.41547474 0.65778871 # 9 Si6
0.39223441 0.62294408 0.44082634 # 10 O
0.26075981 0.70288030 0.55702260 # 11 H1
0.37850633 0.58415447 0.64148734 # 12 H2
0.11114918 0.61952144 0.49670034 # 13 H3
0.08423941 0.44168200 0.58954501 # 14 H4
0.11105630 0.44633464 0.39064823 # 15 H5
0.35781458 0.33270840 0.43343175 # 16 H6
0.21957067 0.27312266 0.52048996 # 17 H7
0.34519032 0.33550643 0.63487252 # 18 H8
0.36917672 0.64450042 0.36833072 # 19 H10
0.76656154 0.55155885 0.34788152 # 20 H11
0.78281793 0.34898890 0.35650517 # 21 H12
0.92906834 0.54994372 0.46538922 # 22 H13
0.94277056 0.45169319 0.64151149 # 23 H14
0.87554787 0.63474783 0.63673346 # 24 H15
0.63332438 0.48102994 0.67613776 # 25 H16
0.77328780 0.42635856 0.76012621 # 26 H17
0.69238155 0.29563741 0.64277175 # 27 H18
0.60401471 0.35194550 0.38191517 # 28 H19
0.58113514 0.48299284 0.42399759 # 29 H20