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	hartrees
Energy at 0K	-614.494940
Energy at 298.15K
HF Energy	-613.826810
Nuclear repulsion energy	197.415626

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3366	3152	2.15	52.40	0.75	0.85
2	A'	3361	3148	4.31	62.05	0.69	0.82
3	A'	3260	3053	3.42	162.06	0.12	0.22
4	A'	3255	3049	1.09	65.12	0.13	0.23
5	A'	3243	3038	3.73	21.92	0.71	0.83
6	A'	1734	1624	3.99	73.35	0.29	0.46
7	A'	1670	1564	22.50	1.85	0.37	0.54
8	A'	1500	1404	0.62	42.73	0.42	0.59
9	A'	1446	1354	3.35	2.54	0.45	0.62
10	A'	1346	1261	0.18	15.53	0.37	0.54
11	A'	1284	1203	43.81	10.98	0.46	0.63
12	A'	1061	993	5.46	3.35	0.64	0.78
13	A'	934	874	7.27	0.32	0.49	0.66
14	A'	660	618	19.13	8.38	0.15	0.25
15	A'	536	502	0.80	3.95	0.62	0.77
16	A'	396	371	1.47	2.89	0.75	0.86
17	A'	253	237	0.07	2.02	0.70	0.82
18	A"	1015	950	24.70	0.18	0.75	0.86
19	A"	928	869	31.33	0.17	0.75	0.86
20	A"	880	824	43.28	0.22	0.75	0.86
21	A"	757	709	0.96	14.80	0.75	0.86
22	A"	669	627	0.49	2.23	0.75	0.86
23	A"	412	385	4.64	4.08	0.75	0.86
24	A"	135	126	0.20	2.68	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.296	1.887
C2	0.000	0.578
C3	1.370	0.070
C4	1.738	-1.219
Cl5	-1.293	-0.593
H6	0.506	2.612
H7	-1.313	2.245
H8	2.129	0.845
H9	2.783	-1.490
H10	1.011	-2.018

	C1	C2	C3	C4	Cl5	H6	H7	H8	H9	H10
C1		1.3426	2.4649	3.7131	2.6740	1.0805	1.0785	2.6392	4.5701	4.1185
C2	1.3426		1.4608	2.4999	1.7448	2.0964	2.1219	2.1456	3.4672	2.7860
C3	2.4649	1.4608		1.3410	2.7446	2.6848	3.4534	1.0846	2.1052	2.1188
C4	3.7131	2.4999	1.3410		3.0951	4.0248	4.6159	2.1009	1.0797	1.0796
Cl5	2.6740	1.7448	2.7446	3.0951		3.6760	2.8380	3.7122	4.1738	2.7096
H6	1.0805	2.0964	2.6848	4.0248	3.6760		1.8559	2.3996	4.6920	4.6579
H7	1.0785	2.1219	3.4534	4.6159	2.8380	1.8559		3.7159	5.5432	4.8553
H8	2.6392	2.1456	1.0846	2.1009	3.7122	2.3996	3.7159		2.4249	3.0733
H9	4.5701	3.4672	2.1052	1.0797	4.1738	4.6920	5.5432	2.4249		1.8485
H10	4.1185	2.7860	2.1188	1.0796	2.7096	4.6579	4.8553	3.0733	1.8485

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.050	C1	C2	Cl5	119.446
C2	C1	H6	119.408	C2	C1	H7	122.049
C2	C3	C4	126.257	C2	C3	H8	114.089
C3	C2	Cl5	117.505	C3	C4	H9	120.453
C3	C4	H10	121.796	C4	C3	H8	119.653
H6	C1	H7	118.543	H9	C4	H10	117.751

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

using model chemistry: MP2/6-31G**

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: MP2/6-31G**

States and conformations

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