Example 1: (very traditional)

CH2O --> H2 + CO transition state search
O
C 1 R*
H 2 R2* 1 A*
H 3 RHH* 2 A* 1 T

R=1.254
R2=1.08
RHH=1.01
A=133.5
T=0.

*ACES2(METHOD=TS,MAX=150,JODA_PRINT=15,CONVERGENCE=6,BASIS=DZP
       CALC=MBPT(2),OCCUPATION=7-1)

Example 2: (very liberal)

# These coordinates were taken from the NIST Chemistry Webbook.
# http://webbook.nist.gov/chemistry

Beta,beta'-dichloroethyl ether; ClCH2CH2OCH2CH2Cl (C4H8Cl2O)
CL							# 1	// 1
C	1	R21					# 2	// 2
H	2	R2a2	1	A2a21			# 2a	// 3
H	2	R2b2	1	A2b21	3	D2b212a	# 2b	// 4
C	2	R32	1	A321	3	D3212a	# 3	// 5
H	5	R3a3	2	A3a32	1	D3a321	# 3a	// 6
H	5	R3b3	2	A3b32	6	D3b323a	# 3b	// 7
O	5	R43	2	A432	1	D4321	# 4	// 8
C	8	R54	5	A543	2	D5432	# 5	// 9
H	9	R5a5	8	A5a54	5	D5a543	# 5a	// 10
H	9	R5b5	8	A5b54	10	D5b545a	# 5b	// 11
C	9	R65	8	A654	5	D6543	# 6	// 12
H	12	R6a6	9	A6a65	8	D6a654	# 6a	// 13
H	12	R6b6	9	A6b65	13	D6b656a	# 6b	// 14
CL	12	R76	9	A765	8	D7654	# 7	// 15

R21     =  1.8
R32     =  1.5
R43     =  1.8
R54     =  1.8
R65     =  1.5
R76     =  1.8
R2a2    =  1.09
R2b2    =  1.09
R3a3    =  1.09
R3b3    =  1.09
R5a5    =  1.09
R5b5    =  1.09
R6a6    =  1.09
R6b6    =  1.09
A321    =  109.47122063449
A432    =  109.47122063449
A543    =  109.47122063449
A654    =  109.47122063449
A765    =  109.47122063449
A2a21   =  109.47122063449
A2b21   =  109.47122063449
A3a32   =  109.47122063449
A3b32   =  109.47122063449
A5a54   =  109.47122063449
A5b54   =  109.47122063449
A6a65   =  109.47122063449
A6b65   =  109.47122063449
D3a321  =  60.
D5a543  =  60.
D6a654  = -60.
D2b212a =  120.
D3b323a = -120.
D5b545a = -120.
D6b656a =  120.
D3212a  = -120.
D4321   =  180.
D5432   =  180.
D6543   =  180.
D7654   =  180.

*ACES2
mem=768mb #1gb
basis=CC-PVDZ
spherical,!sym # the full point group is C2v
#abcdtype=aobasis
ref=uhf,fock=ao
calc=ccsd(t)

Example 3: (packed with features)

# put JOBARC in my home so my prog can access the SCF eigenvectors
% JOBARC=/u/home/ME/JOBARC.cl2
% JAINDX=/u/home/ME/JAINDX.cl2

ecp test
CL
CL 1 R*
 
R=1.5
 
*ACES2(ecp)
 
CL:SBKJC
CL:SBKJC
 
CL:SBKJC
CL:SBKJC