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	hartrees
Energy at 0K	-614.626113
Energy at 298.15K
HF Energy	-613.880285
Nuclear repulsion energy	196.763643

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3281	3281	3.23
2	A'	3275	3275	5.80
3	A'	3191	3191	6.25
4	A'	3183	3183	1.40
5	A'	3176	3176	2.46
6	A'	1726	1726	5.48
7	A'	1662	1662	25.08
8	A'	1474	1474	0.29
9	A'	1426	1426	4.39
10	A'	1327	1327	0.22
11	A'	1267	1267	45.46
12	A'	1048	1048	3.70
13	A'	920	920	8.09
14	A'	654	654	18.74
15	A'	531	531	0.92
16	A'	395	395	1.10
17	A'	248	248	0.09
18	A"	1001	1001	25.59
19	A"	925	925	36.02
20	A"	888	888	39.39
21	A"	746	746	0.57
22	A"	661	661	0.07
23	A"	406	406	8.58
24	A"	127	127	0.30

Atom	x (Å)	y (Å)
C1	-0.287	1.890
C2	0.000	0.580
C3	1.378	0.060
C4	1.743	-1.231
Cl5	-1.304	-0.586
H6	0.521	2.615
H7	-1.308	2.254
H8	2.141	0.837
H9	2.793	-1.504
H10	1.014	-2.035

	C1	C2	C3	C4	Cl5	H6	H7	H8	H9	H10
C1		1.3410	2.4740	3.7226	2.6758	1.0860	1.0839	2.6466	4.5834	4.1349
C2	1.3410		1.4728	2.5130	1.7486	2.1009	2.1248	2.1565	3.4851	2.8047
C3	2.4740	1.4728		1.3412	2.7583	2.6949	3.4683	1.0891	2.1094	2.1262
C4	3.7226	2.5130	1.3412		3.1141	4.0351	4.6317	2.1057	1.0856	1.0849
Cl5	2.6758	1.7486	2.7583	3.1141		3.6842	2.8398	3.7269	4.1989	2.7342
H6	1.0860	2.1009	2.6949	4.0351	3.6842		1.8642	2.4053	4.7043	4.6762
H7	1.0839	2.1248	3.4683	4.6317	2.8398	1.8642		3.7288	5.5629	4.8778
H8	2.6466	2.1565	1.0891	2.1057	3.7269	2.4053	3.7288		2.4302	3.0850
H9	4.5834	3.4851	2.1094	1.0856	4.1989	4.7043	5.5629	2.4302		1.8564
H10	4.1349	2.8047	2.1262	1.0849	2.7342	4.6762	4.8778	3.0850	1.8564

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.031	C1	C2	Cl5	119.426
C2	C1	H6	119.542	C2	C1	H7	122.026
C2	C3	C4	126.450	C2	C3	H8	113.814
C3	C2	Cl5	117.543	C3	C4	H9	120.364
C3	C4	H10	122.060	C4	C3	H8	119.735
H6	C1	H7	118.432	H9	C4	H10	117.576

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

using model chemistry: CCSD/6-311G**

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/6-311G**

States and conformations

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