You can not select more than 25 topics
Topics must start with a letter or number, can include dashes ('-') and can be up to 35 characters long.
25 lines
1.5 KiB
25 lines
1.5 KiB
2 years ago
|
22
|
||
|
|
Coordinates from ORCA-job cmmd
|
||
|
|
C -1.67789262482362 0.11525329869831 0.84776377059116
|
||
|
|
C -1.48696869578108 -1.01355209578752 -0.15853701195241
|
||
|
|
C -0.08962128164374 -0.76941009503983 -0.73189236960181
|
||
|
|
C 1.04829096618154 -1.32626849868764 0.14595842599341
|
||
|
|
C 1.67267554494252 -0.12078858357241 0.85001656867164
|
||
|
|
C 1.48330738130646 1.01076883814883 -0.15347731629115
|
||
|
|
C 0.08684005579747 0.76819612789448 -0.72965504301328
|
||
|
|
C -1.05243100784612 1.32264799435766 0.14795651490402
|
||
|
|
H -1.14431262086837 -0.11399375088709 1.77026137692973
|
||
|
|
H -2.72613042030156 0.28008844485899 1.09592839250909
|
||
|
|
H -2.22841592956031 -0.92233820827076 -0.95514782836367
|
||
|
|
H -1.58786878660918 -2.00215949404559 0.28786493139880
|
||
|
|
H -0.01538998189394 -1.18433834677691 -1.73900299660471
|
||
|
|
H 1.79743095555466 -1.80699066458022 -0.48532872804034
|
||
|
|
H 0.68582296618717 -2.06941944989369 0.85514056319983
|
||
|
|
H 2.72054019275969 -0.28630229679690 1.09931508645209
|
||
|
|
H 1.13769483539212 0.10592615728604 1.77232082684411
|
||
|
|
H 2.22596209405418 0.92177649029586 -0.94921094504504
|
||
|
|
H 1.58353180060076 1.99813590573103 0.29581758406903
|
||
|
|
H 0.01417474663286 1.18588579823564 -1.73573690178012
|
||
|
|
H -1.80063130399002 1.80502981213503 -0.48319168424581
|
||
|
|
H -0.69107888609148 2.06390261669669 0.85967678337543
|