G16计算振动分辨的吸收光谱报错求解决方法

铭律凉

我的操作步骤如下：
1. 计算基态S0的构型，振动频率 opt freq m062x 6-31g**  chk取名为DimerGS.chk
2. 计算激发态S1的构型，振动频率 opt freq=saveNM  m062x 6-31g**  td=(nstates=6, root=1)  chk取名为DimerTDDFT.chk
3. 计算Frank-condon
   %oldchk=DimerGS.chk
   m062x 6-31g** guess=read freq=(FC,readFC,reacFCHT) geom=allcheck nosymm    (本来我的分子也没有对称性）
   
   ForceFCCalc

   DimerTDDFT.chk

最后报错如下
-- To: vibronic fundamental state --
    Spectrum progression:    0.00%

-- To: single overtones --
    Spectrum progression:    0.01%

-- To: combinations of  2 simultaneously excited modes --
    Spectrum progression:    0.11%

WARNING: Low progression after class 2. Total convergence =  0.1%.

-- To: combinations of  3 simultaneously excited modes --
WARNING: insufficient num. of quanta (C1) for mode      1
NInts<0 in InToWP.
Error termination via Lnk1e in /home/soft/gaussian16/g16/l718.exe at Thu Mar 11 03:07:18 2021.

请帮我看下为什么

qinxiaodao

楼主解决了吗，求指教