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	hartrees
Energy at 0K	-614.389393
Energy at 298.15K
HF Energy	-613.818925
Nuclear repulsion energy	197.828220

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3386	3135	2.78
2	A'	3380	3130	5.89
3	A'	3298	3053	5.42
4	A'	3292	3048	1.14
5	A'	3279	3035	3.47
6	A'	1829	1693	6.18
7	A'	1759	1628	24.98
8	A'	1540	1426	0.44
9	A'	1492	1382	5.90
10	A'	1395	1292	0.48
11	A'	1322	1224	46.29
12	A'	1098	1017	6.91
13	A'	956	885	8.28
14	A'	675	625	21.01
15	A'	552	511	1.12
16	A'	410	379	1.55
17	A'	259	240	0.15
18	A"	1061	983	24.24
19	A"	1013	938	42.20
20	A"	975	903	49.69
21	A"	799	740	0.75
22	A"	707	655	0.30
23	A"	434	401	6.06
24	A"	136	126	0.24

Atom	x (Å)	y (Å)
C1	-0.289	1.875
C2	0.000	0.579
C3	1.372	0.061
C4	1.738	-1.215
Cl5	-1.298	-0.587
H6	0.508	2.604
H7	-1.303	2.239
H8	2.129	0.836
H9	2.783	-1.486
H10	1.022	-2.022

	C1	C2	C3	C4	Cl5	H6	H7	H8	H9	H10
C1		1.3276	2.4593	3.6956	2.6608	1.0799	1.0779	2.6313	4.5534	4.1122
C2	1.3276		1.4664	2.4980	1.7448	2.0875	2.1105	2.1439	3.4655	2.7953
C3	2.4593	1.4664		1.3279	2.7471	2.6857	3.4498	1.0830	2.0940	2.1128
C4	3.6956	2.4980	1.3279		3.0998	4.0126	4.6024	2.0882	1.0795	1.0787
Cl5	2.6608	1.7448	2.7471	3.0998		3.6665	2.8262	3.7100	4.1784	2.7281
H6	1.0799	2.0875	2.6857	4.0126	3.6665		1.8476	2.3985	4.6804	4.6551
H7	1.0779	2.1105	3.4498	4.6024	2.8262	1.8476		3.7077	5.5295	4.8549
H8	2.6313	2.1439	1.0830	2.0882	3.7100	2.3985	3.7077		2.4126	3.0651
H9	4.5534	3.4655	2.0940	1.0795	4.1784	4.6804	5.5295	2.4126		1.8405
H10	4.1122	2.7953	2.1128	1.0787	2.7281	4.6551	4.8549	3.0651	1.8405

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.259	C1	C2	Cl5	119.377
C2	C1	H6	119.892	C2	C1	H7	122.313
C2	C3	C4	126.685	C2	C3	H8	113.631
C3	C2	Cl5	117.364	C3	C4	H9	120.528
C3	C4	H10	122.447	C4	C3	H8	119.684
H6	C1	H7	117.795	H9	C4	H10	117.025

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

using model chemistry: CISD/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: CISD/6-31G*

States and conformations

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