Geometry optimization calculation of benzene at RHF level
X
C 1 R1*
C 1 R1* 2 A1
C 1 R1* 3 A1 2 D
C 1 R1* 4 A1 3 D
C 1 R1* 5 A1 4 D
C 1 R1* 6 A1 5 D
H 2 R2* 3 A2 1 D
H 3 R2* 4 A2 1 D
H 4 R2* 5 A2 1 D
H 5 R2* 6 A2 1 D
H 6 R2* 7 A2 1 D
H 7 R2* 2 A2 1 D

R1=1.0
R2=1.0
A1=60.0
A2=120.0
D=180.0

*ACES2(CALC=SCF
BASIS=dzp
REF=RHF
GEO_CONV=8
SCF_CONV=8
PRINT=1)






