adf:moleculeoled
复制以下内容，在AMSinput中粘贴即可：
35 Pt -0.29813609 0.08114993 0.00000000 O -2.11145135 -1.00623503 0.00000000 C -3.26794602 -0.44192033 0.00000000 C -4.43952922 -1.39785951 0.00000000 H -4.38047181 -2.04757023 -0.88493325 H -4.38047181 -2.04757023 0.88493325 H -5.40304929 -0.87642136 0.00000000 C 2.58038063 0.03010692 0.00000000 C 3.87954878 0.55852586 0.00000000 C 4.14395434 1.91865247 0.00000000 C 3.04037003 2.77094595 0.00000000 C 1.72626924 2.32398055 0.00000000 C -3.51241669 0.94484322 0.00000000 C 2.21145305 -1.37672458 0.00000000 C 3.06485374 -2.49191724 0.00000000 C 2.53571729 -3.77791698 0.00000000 C 1.14853516 -3.95130927 0.00000000 C 0.33667190 -2.82563499 0.00000000 H 5.16328708 2.29858617 0.00000000 H 0.90509853 3.03974590 0.00000000 H 4.13896087 -2.33199740 0.00000000 H 3.20270608 -4.64081222 0.00000000 H 0.69320416 -4.94076928 0.00000000 C -2.56482128 1.97873920 0.00000000 H -0.75150504 -2.88257347 0.00000000 F 3.28217365 4.11514311 0.00000000 C 1.48186996 0.94633082 0.00000000 F 4.96444591 -0.28194573 0.00000000 N 0.84466979 -1.57414099 0.00000000 O -1.27514139 1.85684708 0.00000000 H -4.55703216 1.25197344 0.00000000 C -3.02815817 3.41696399 0.00000000 H -2.62674216 3.93143037 -0.88465375 H -4.12055554 3.49792348 0.00000000 H -2.62674216 3.93143037 0.88465375
adf/moleculeoled.txt · 最后更改: 2021/07/19 12:07 由 liu.jun