Advertisement
Not a member of Pastebin yet?
Sign Up,
it unlocks many cool features!
- $CONTRL SCFTYP=RHF RUNTYP=ENERGY DFTTYP=B3LYP $END
- $SYSTEM MWORDS=125 $END
- $BASIS GBASIS=N311 NGAUSS=6 NPFUNC=1 NDFUNC=1 $END
- $GUESS GUESS=HUCKEL $END
- $DATA
- Benzene test
- Dnh 6
- C 6.0 -1.3877745382 0.00000 0.00000
- H 1.0 -2.4586782132 0.00000 0.00000
- $END
Advertisement
Add Comment
Please, Sign In to add comment
Advertisement
