I would like to use RADII=BONDI with IEFPCM solvation for trans-4-Methylcyclohexanol. I am using for optimization B3LYP/6-31G(d) or

B3LYP/6-311+G(2d,p) methods (I tried both of them). But I get this error in below:

# opt b3lyp/6-31g(d) scrf=(iefpcm,solvent=chloroform,read) geom=connec

tivity radii=bondi

----------------------------------------------------------------------

QPERR --- A SYNTAX ERROR WAS DETECTED IN THE INPUT LINE.

D) GEOM=CONNECTIVITY RADII=BONDI

'

Last state="GCL"

TCursr= 1020 LCursr= 77

Error termination via Lnk1e in C:\G03W\l1.exe at Wed Feb 14 14:38:52 2018.

Job cpu time: 0 days 0 hours 0 minutes 0.0 seconds.

File lengths (MBytes): RWF= 7 Int= 0 D2E= 0 Chk= 12 Scr= 1

Could anyone help me to understand the reason of this error?

Thank you for your attention.

More Gözde Yalçin's questions See All
Similar questions and discussions