Hi everyone

I'm trying to run this ONIOM optimisation calc using b3lyp/6-31g for the QM region and UFF for the MM region but I keep getting this error (shown below) saying that the angle bends are undefined

I've tried to specify the angles in one line at the bottom of my input (the .txt attached) but that doesn't seem to have worked.

Could someone please check my input and output file to see if I should be getting this error in the first place?

Any and all help is appreciated

Error:

Angle bend undefined between atoms 121 63 134 HW-CALCIUM-OW [H,H,H] *

Angle bend undefined between atoms 121 120 122 HW-OW-HW [H,H,H] *

Angle bend undefined between atoms 122 63 134 HW-CALCIUM-OW [H,H,H] *

Angle bend undefined between atoms 123 50 139 O_3-CALCIUM-CALCIUM [H,H,H] *

Angle bend undefined between atoms 137 134 143 HW-OW-HW [H,H,H] *

* These undefined terms cancel in the ONIOM expression.

MM function not complete

Error termination via Lnk1e in /share/apps/gaussian/g09_D01/g09/l101.exe at Wed Apr 15 06:29:53 2020.

Job cpu time: 0 days 0 hours 0 minutes 1.8 seconds.

File lengths (MBytes): RWF= 5 Int= 0 D2E= 0 Chk= 472 Scr= 1