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	hartrees
Energy at 0K	-614.503111
Energy at 298.15K
HF Energy	-613.817535
Nuclear repulsion energy	196.710188

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3293	3109	3.42
2	A'	3287	3104	6.45
3	A'	3204	3026	4.75
4	A'	3200	3021	1.87
5	A'	3184	3007	4.79
6	A'	1750	1653	4.75
7	A'	1685	1591	22.33
8	A'	1494	1411	0.44
9	A'	1444	1364	5.04
10	A'	1352	1276	0.36
11	A'	1285	1213	41.58
12	A'	1065	1006	6.34
13	A'	929	877	7.20
14	A'	655	619	18.63
15	A'	537	507	0.94
16	A'	397	375	1.29
17	A'	253	238	0.11
18	A"	1004	948	26.10
19	A"	939	887	34.95
20	A"	902	851	45.66
21	A"	755	713	0.83
22	A"	671	634	0.40
23	A"	412	389	5.31
24	A"	131	124	0.21

Atom	x (Å)	y (Å)
C1	-0.296	1.888
C2	0.000	0.581
C3	1.377	0.067
C4	1.747	-1.222
Cl5	-1.301	-0.593
H6	0.503	2.625
H7	-1.319	2.251
H8	2.139	0.848
H9	2.798	-1.495
H10	1.025	-2.033

	C1	C2	C3	C4	Cl5	H6	H7	H8	H9	H10
C1		1.3403	2.4734	3.7210	2.6773	1.0872	1.0852	2.6480	4.5854	4.1382
C2	1.3403		1.4699	2.5102	1.7525	2.1050	2.1277	2.1551	3.4847	2.8082
C3	2.4734	1.4699		1.3405	2.7577	2.7036	3.4696	1.0908	2.1120	2.1294
C4	3.7210	2.5102	1.3405		3.1113	4.0430	4.6321	2.1061	1.0868	1.0860
Cl5	2.6773	1.7525	2.7577	3.1113		3.6896	2.8441	3.7289	4.1970	2.7351
H6	1.0872	2.1050	2.7036	4.0430	3.6896		1.8604	2.4155	4.7167	4.6876
H7	1.0852	2.1277	3.4696	4.6321	2.8441	1.8604		3.7316	5.5666	4.8833
H8	2.6480	2.1551	1.0908	2.1061	3.7289	2.4155	3.7316		2.4341	3.0887
H9	4.5854	3.4847	2.1120	1.0868	4.1970	4.7167	5.5666	2.4341		1.8533
H10	4.1382	2.8082	2.1294	1.0860	2.7351	4.6876	4.8833	3.0887	1.8533

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.260	C1	C2	Cl5	119.314
C2	C1	H6	119.897	C2	C1	H7	122.276
C2	C3	C4	126.493	C2	C3	H8	113.801
C3	C2	Cl5	117.427	C3	C4	H9	120.588
C3	C4	H10	122.345	C4	C3	H8	119.706
H6	C1	H7	117.828	H9	C4	H10	117.068

All results from a given calculation for CH₂CClCHCH₂ (1,3-Butadiene, 2-chloro-)

using model chemistry: CCSD/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 CH2CClCHCH2 (1,3-Butadiene, 2-chloro-)

using model chemistry: CCSD/6-31G*

States and conformations

All results from a given calculation for CH₂CClCHCH₂ (1,3-Butadiene, 2-chloro-)