Good day, Vikash.
According to my knowledge and experience,
classification "wrong Mulliken"
does not sound right.
The Mulliken protocol is as described in literature.
There are many publications to report when it was very helpful and
when it did not bring numbers consistent with the experimental.
The approach by Robert Mulliken (I graduated from the lab which stemmed from his)
was discussed to contradict experimental anticipations when in systems with metals.
You have to explore literature on your own.
This does not mean that it would compute "wrong Mulliken".
There are other protocols with own benefits and lacks.
In general, computing one set of charges for a system does not have a strong value.
Instead, comparing how charges would change when you explore various relevant
systems using the same level of theory may be scientific.
You may try RESP as a complimentary approach.
Perhaps, the developers and other users would be kind enough
to update this reply if I made a mistake.
Victor
&PROPERTIES
&RESP
USE_REPEAT_METHOD
&SPHERE_SAMPLING
AUTO_VDW_RADII_TABLE UFF
AUTO_RMIN_SCALE 1.0
AUTO_RMAX_SCALE 10
&END
&PRINT
&RESP_CHARGES_TO_FILE
FILENAME resp.dat
&EACH
MD 1
&END EACH
&END RESP_CHARGES_TO_FILE
&END PRINT
&END RESP
&FIT_CHARGE
&END FIT_CHARGE
&END PROPERTIES
&END FORCE_EVAL