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	hartrees
Energy at 0K	-1034.545927
Energy at 298.15K	-1034.546942
HF Energy	-1033.715218
Nuclear repulsion energy	216.202559

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3131	2965	10.36
2	A'	2272	2152	79.05
3	A'	1505	1426	1.96
4	A'	1359	1287	52.05
5	A'	1152	1091	0.10
6	A'	763	723	62.54
7	A'	643	609	21.49
8	A'	406	385	0.01
9	A'	287	272	1.49
10	A'	98	93	1.36
11	A"	3193	3024	0.81
12	A"	1248	1182	1.41
13	A"	941	892	0.79
14	A"	261	247	0.01
15	A"	179	169	8.31

Atom	x (Å)	y (Å)	z (Å)
C1	1.189	0.208	0.000
C2	0.000	0.466	0.000
C3	-1.387	0.888	0.000
Cl4	2.772	-0.218	0.000
Cl5	-2.513	-0.507	0.000
H6	-1.611	1.478	0.889
H7	-1.611	1.478	-0.889

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.2169	2.6645	1.6390	3.7705	3.2009	3.2009
C2	1.2169		1.4498	2.8550	2.6945	2.1002	2.1002
C3	2.6645	1.4498		4.3035	1.7932	1.0899	1.0899
Cl4	1.6390	2.8550	4.3035		5.2925	4.7832	4.7832
Cl5	3.7705	2.6945	1.7932	5.2925		2.3546	2.3546
H6	3.2009	2.1002	1.0899	4.7832	2.3546		1.7775
H7	3.2009	2.1002	1.0899	4.7832	2.3546	1.7775

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	175.269	C2	C1	Cl4	177.146
C2	C3	Cl5	111.940	C2	C3	H6	110.772
C2	C3	H7	110.772	Cl5	C3	H6	106.970
Cl5	C3	H7	106.970	H6	C3	H7	109.257

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

using model chemistry: MP2=FULL/6-311G*

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=FULL/6-311G*

States and conformations

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