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	hartrees
Energy at 0K	-1034.284112
Energy at 298.15K	-1034.285149
HF Energy	-1033.641251
Nuclear repulsion energy	240.157776

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3518	3318	59.58
2	A'	3198	3016	0.72
3	A'	2168	2045	26.02
4	A'	1323	1248	32.69
5	A'	1035	976	51.71
6	A'	741	699	36.42
7	A'	606	571	30.09
8	A'	454	428	3.66
9	A'	284	268	0.52
10	A'	205	193	2.09
11	A"	1305	1231	25.72
12	A"	805	759	173.55
13	A"	584	550	20.73
14	A"	422	398	0.15
15	A"	135	127	0.63

Atom	x (Å)	y (Å)	z (Å)
C1	-1.630	2.037	0.000
C2	-0.741	1.202	0.000
C3	0.384	0.288	0.000
Cl4	0.384	-0.727	1.468
Cl5	0.384	-0.727	-1.468
H6	-2.450	2.720	0.000
H7	1.330	0.828	0.000

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.2196	2.6672	3.7213	3.7213	1.0673	3.1973
C2	1.2196		1.4493	2.6722	2.6722	2.2859	2.1044
C3	2.6672	1.4493		1.7847	1.7847	3.7343	1.0896
Cl4	3.7213	2.6722	1.7847		2.9367	4.6975	2.3384
Cl5	3.7213	2.6722	1.7847	2.9367		4.6975	2.3384
H6	1.0673	2.2859	3.7343	4.6975	4.6975		4.2269
H7	3.1973	2.1044	1.0896	2.3384	2.3384	4.2269

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	175.910	C2	C1	H6	176.631
C2	C3	Cl4	111.011	C2	C3	Cl5	111.011
C2	C3	H7	111.177	Cl4	C3	Cl5	110.719
Cl4	C3	H7	106.366	Cl5	C3	H7	106.366

All results from a given calculation for CHCl₂CCH (3,3-dichloropropyne)

using model chemistry: MP2/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CHCl2CCH (3,3-dichloropropyne)

using model chemistry: MP2/6-31G*

States and conformations

All results from a given calculation for CHCl₂CCH (3,3-dichloropropyne)