Gaussian 16优化过渡金属配合物出现报错Diagonalization in DiagDN failed.怎么解决？

Pegasus0429

各位老师好，我在使用DFT方法M062X泛函，6-31G(d,p)和SDD混合基组进行含Zn配合物结构优化与频率计算时反复出现报错“ Diagonalization in DiagDN failed.”取最后一步结构继续计算仍出现该问题。请各位老师指导，谢谢！
报错内容如下：
Skip linear search -- no minimum in search direction.
Steepest descent instead of Quadratic search.
Steepest descent step scaled to max of 0.05000.
DSYEV returned Info=           3 IAlg= 2 N=     4 NDim=     4 NE2=           2.
Diagonalization in DiagDN failed.
Error termination via Lnk1e in /public3/home/lcc/software-lcc/g16/l103.exe at Sat Mar  9 03:39:39 2024.
Job cpu time:      48 days 18 hours 10 minutes  3.0 seconds.
Elapsed time:       0 days 18 hours 25 minutes 51.6 seconds.
File lengths (MBytes):  RWF=   1313 Int=      0 D2E=      0 Chk=    156 Scr=      1