Hindered rotor 计算报错

gnli

计算中用Freq=HinderedRotor关键词遇到如下报错 （输出文件在附件），我的理解是1和2原子之间不应该按照hindered rotor处理。请问这种情况应该怎么在输入文件中加入限制条件？

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           Hindered Internal Rotation Analysis

rotorrotorrotorrotorrotorrotorrotorrotorrotorrotorrotor

Internal coordinate list sorted
Checking for planar centers
Added             1 out of plane coordinates
Checking for ring deformation
The bond between atoms       1 and       6 has a periodicity between  1 and  3.
The bond between atoms       2 and       6 has a periodicity between  1 and  2.
Periodicity information is required for       2 bonds.
Please see ReadHinderedRotor in the user manual.
Error termination via Lnk1e in /apps/gaussian/g16c01/g16/l716.exe at Wed Mar 12 09:11:07 2025.
Job cpu time:       0 days  3 hours  8 minutes 20.2 seconds.
Elapsed time:       0 days  3 hours  8 minutes 16.8 seconds.
File lengths (MBytes):  RWF=    112 Int=      0 D2E=      0 Chk=      7 Scr=      1

Uus/pMeC6H4-/キ

忍不住问问，这个Si3Cl6的结构从何而来，要表现什么条件的化学体系呢……？

gnli

Uus/pMeC6H4-/キ 发表于 2025-3-20 10:45
忍不住问问，这个Si3Cl6的结构从何而来，要表现什么条件的化学体系呢……？

SiCl2生成聚合物的中间体

gnli

继续求助 哪位大神知道 请不吝赐教！