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	hartrees
Energy at 0K	-1034.467338
Energy at 298.15K	-1034.468429
HF Energy	-1033.666724
Nuclear repulsion energy	216.880787

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3142	2968	4.92
2	A'	2282	2155	69.88
3	A'	1496	1413	0.97
4	A'	1311	1238	51.71
5	A'	1144	1081	0.27
6	A'	762	719	57.23
7	A'	633	598	21.44
8	A'	425	401	0.20
9	A'	283	267	0.69
10	A'	92	87	0.97
11	A"	3206	3028	0.01
12	A"	1215	1148	0.24
13	A"	930	879	0.40
14	A"	328	310	0.15
15	A"	182	172	5.43

Atom	x (Å)	y (Å)	z (Å)
C1	1.173	0.202	0.000
C2	0.000	0.524	0.000
C3	-1.395	0.912	0.000
Cl4	2.749	-0.234	0.000
Cl5	-2.477	-0.520	0.000
H6	-1.645	1.493	0.887
H7	-1.645	1.493	-0.887

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.2158	2.6636	1.6354	3.7201	3.2234	3.2234
C2	1.2158		1.4477	2.8512	2.6875	2.1052	2.1052
C3	2.6636	1.4477		4.2989	1.7943	1.0896	1.0896
Cl4	1.6354	2.8512	4.2989		5.2332	4.8034	4.8034
Cl5	3.7201	2.6875	1.7943	5.2332		2.3512	2.3512
H6	3.2234	2.1052	1.0896	4.8034	2.3512		1.7748
H7	3.2234	2.1052	1.0896	4.8034	2.3512	1.7748

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.764	C2	C1	Cl4	179.836
C2	C3	Cl5	111.531	C2	C3	H6	111.352
C2	C3	H7	111.352	Cl5	C3	H6	106.663
Cl5	C3	H7	106.663	H6	C3	H7	109.053

All results from a given calculation for CH₂ClCCCl (1,3-dichloropropyne)

using model chemistry: MP2/6-31G(2df,p)

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 CH2ClCCCl (1,3-dichloropropyne)

using model chemistry: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂ClCCCl (1,3-dichloropropyne)