ccsd frequency

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xjamesmao
Posts: 10
Joined: 04 Dec 2014, 21:07
First name(s): James
Last name(s): Mao
Affiliation: UTA
Country: United States

ccsd frequency

Post by xjamesmao » 29 Sep 2015, 03:18

Hi all,
Can someone give me some hint about ccsd frequency calculations? I know there is no analytical gradient and only numerical gradient available.
Here is my input:

**DALTON INPUT
.OPTIMIZE
.NMDDRV
**INTEGRAL
.DIPLEN
.DEROVL
.DERHAM
**WAVE FUNCTIONS
.CC
*CC INP
.CCSD
**NMDDRV
.VIBANA
**END OF DALTON INPUT

There is no error in the output, but no information about vibration there. It seems only optimization was done.
I tried a new run with:

**DALTON INPUT
.NMDDRV
**INTEGRAL
.DIPLEN
.DEROVL
.DERHAM
**WAVE FUNCTIONS
.CC
*CC INP
.CCSD
**NMDDRV
.VIBANA
**END OF DALTON INPUT

But still, only energy calculation is in the output. Can someone give me some hint about correct input? Thank you very much!

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