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	hartrees
Energy at 0K	-614.493179
Energy at 298.15K
HF Energy	-613.818019
Nuclear repulsion energy	197.051352

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3324	3120	2.63
2	A'	3318	3115	5.67
3	A'	3235	3036	3.45
4	A'	3230	3032	1.48
5	A'	3217	3019	3.99
6	A'	1769	1660	4.70
7	A'	1704	1600	23.99
8	A'	1504	1412	0.57
9	A'	1455	1366	5.28
10	A'	1360	1276	0.25
11	A'	1294	1215	42.69
12	A'	1071	1005	6.60
13	A'	935	878	7.26
14	A'	661	620	19.23
15	A'	540	507	1.03
16	A'	399	375	1.39
17	A'	254	239	0.10
18	A"	1012	950	26.68
19	A"	943	885	37.93
20	A"	902	846	47.87
21	A"	761	714	0.97
22	A"	675	634	0.44
23	A"	414	388	5.44
24	A"	131	123	0.20

Atom	x (Å)	y (Å)
C1	-0.296	1.885
C2	0.000	0.581
C3	1.376	0.068
C4	1.743	-1.218
Cl5	-1.298	-0.593
H6	0.502	2.620
H7	-1.317	2.246
H8	2.135	0.848
H9	2.792	-1.493
H10	1.021	-2.026

	C1	C2	C3	C4	Cl5	H6	H7	H8	H9	H10
C1		1.3372	2.4690	3.7126	2.6734	1.0851	1.0830	2.6431	4.5764	4.1268
C2	1.3372		1.4684	2.5046	1.7506	2.1002	2.1230	2.1520	3.4778	2.7998
C3	2.4690	1.4684		1.3372	2.7549	2.6975	3.4634	1.0885	2.1074	2.1241
C4	3.7126	2.5046	1.3372		3.1048	4.0335	4.6218	2.1026	1.0845	1.0840
Cl5	2.6734	1.7506	2.7549	3.1048		3.6836	2.8397	3.7239	4.1881	2.7261
H6	1.0851	2.1002	2.6975	4.0335	3.6836		1.8570	2.4100	4.7073	4.6752
H7	1.0830	2.1230	3.4634	4.6218	2.8397	1.8570		3.7246	5.5553	4.8701
H8	2.6431	2.1520	1.0885	2.1026	3.7239	2.4100	3.7246		2.4309	3.0826
H9	4.5764	3.4778	2.1074	1.0845	4.1881	4.7073	5.5553	2.4309		1.8499
H10	4.1268	2.7998	2.1241	1.0840	2.7261	4.6752	4.8701	3.0826	1.8499

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.221	C1	C2	Cl5	119.346
C2	C1	H6	119.874	C2	C1	H7	122.270
C2	C3	C4	126.371	C2	C3	H8	113.798
C3	C2	Cl5	117.433	C3	C4	H9	120.612
C3	C4	H10	122.294	C4	C3	H8	119.831
H6	C1	H7	117.855	H9	C4	H10	117.094

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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