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	hartrees
Energy at 0K	-1034.363827
Energy at 298.15K	-1034.364834
HF Energy	-1033.649030
Nuclear repulsion energy	216.244195

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3197	3197	10.45
2	A'	2438	2438	62.87
3	A'	1540	1540	0.47
4	A'	1373	1373	59.13
5	A'	1147	1147	0.24
6	A'	773	773	52.59
7	A'	644	644	20.49
8	A'	400	400	0.40
9	A'	262	262	0.38
10	A'	97	97	1.02
11	A"	3256	3256	1.71
12	A"	1254	1254	0.45
13	A"	951	951	0.22
14	A"	278	278	0.46
15	A"	184	184	5.22

Atom	x (Å)	y (Å)	z (Å)
C1	1.173	0.226	0.000
C2	0.000	0.489	0.000
C3	-1.408	0.865	0.000
Cl4	2.773	-0.170	0.000
Cl5	-2.497	-0.558	0.000
H6	-1.646	1.449	0.882
H7	-1.646	1.449	-0.882

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.2023	2.6592	1.6481	3.7529	3.1973	3.1973
C2	1.2023		1.4574	2.8503	2.7074	2.1000	2.1000
C3	2.6592	1.4574		4.3074	1.7923	1.0843	1.0843
Cl4	1.6481	2.8503	4.3074		5.2844	4.7883	4.7883
Cl5	3.7529	2.7074	1.7923	5.2844		2.3520	2.3520
H6	3.1973	2.1000	1.0843	4.7883	2.3520		1.7644
H7	3.1973	2.1000	1.0843	4.7883	2.3520	1.7644

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	177.654	C2	C1	Cl4	178.757
C2	C3	Cl5	112.434	C2	C3	H6	110.563
C2	C3	H7	110.563	Cl5	C3	H6	107.112
Cl5	C3	H7	107.112	H6	C3	H7	108.899

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

using model chemistry: MP3=FULL/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 CH2ClCCCl (1,3-dichloropropyne)

using model chemistry: MP3=FULL/6-31G**

States and conformations

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