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	hartrees
Energy at 0K	-1034.641646
Energy at 298.15K	-1034.642879
HF Energy	-1033.762676
Nuclear repulsion energy	216.812125

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3148	2974	6.49
2	A'	2406	2273	63.81
3	A'	1503	1420	1.78
4	A'	1323	1250	45.62
5	A'	1135	1072	0.24
6	A'	760	718	51.85
7	A'	640	605	21.43
8	A'	456	431	0.03
9	A'	298	281	1.18
10	A'	96	91	1.03
11	A"	3200	3023	0.11
12	A"	1227	1159	0.46
13	A"	938	886	0.08
14	A"	386	364	0.21
15	A"	187	177	6.72

Atom	x (Å)	y (Å)	z (Å)
C1	1.162	0.227	0.000
C2	0.000	0.518	0.000
C3	-1.410	0.879	0.000
Cl4	2.756	-0.175	0.000
Cl5	-2.473	-0.569	0.000
H6	-1.662	1.454	0.884
H7	-1.662	1.454	-0.884

	C1	C2	C3	Cl4	Cl5	H6	H7
C1		1.1981	2.6535	1.6438	3.7218	3.2033	3.2033
C2	1.1981		1.4554	2.8419	2.7015	2.1021	2.1021
C3	2.6535	1.4554		4.2972	1.7968	1.0839	1.0839
Cl4	1.6438	2.8419	4.2972		5.2441	4.7908	4.7908
Cl5	3.7218	2.7015	1.7968	5.2441		2.3520	2.3520
H6	3.2033	2.1021	1.0839	4.7908	2.3520		1.7678
H7	3.2033	2.1021	1.0839	4.7908	2.3520	1.7678

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.646	C2	C1	Cl4	179.849
C2	C3	Cl5	111.907	C2	C3	H6	110.905
C2	C3	H7	110.905	Cl5	C3	H6	106.837
Cl5	C3	H7	106.837	H6	C3	H7	109.273

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

using model chemistry: MP3/cc-pVTZ

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/cc-pVTZ

States and conformations

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