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	hartrees
Energy at 0K	-614.703723
Energy at 298.15K
HF Energy	-613.880159
Nuclear repulsion energy	197.439247

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'	3310	3140	1.65	57.74	0.75	0.86
2	A'	3305	3135	3.48	68.61	0.68	0.81
3	A'	3209	3044	4.24	189.57	0.16	0.27
4	A'	3202	3037	1.01	63.40	0.17	0.28
5	A'	3196	3031	1.97	25.40	0.53	0.69
6	A'	1700	1613	4.68	101.06	0.27	0.42
7	A'	1636	1552	27.86	2.16	0.29	0.45
8	A'	1465	1390	0.60	37.16	0.46	0.63
9	A'	1417	1345	5.03	2.01	0.49	0.65
10	A'	1315	1247	0.02	15.84	0.32	0.48
11	A'	1264	1199	47.75	10.25	0.44	0.61
12	A'	1038	985	4.78	3.90	0.57	0.72
13	A'	920	873	7.48	0.30	0.64	0.78
14	A'	660	626	18.91	8.37	0.16	0.28
15	A'	531	504	0.63	4.30	0.58	0.73
16	A'	395	374	1.12	3.19	0.75	0.86
17	A'	250	237	0.08	2.04	0.72	0.84
18	A"	1001	950	27.72	0.41	0.75	0.86
19	A"	905	858	36.84	0.66	0.75	0.86
20	A"	860	816	43.22	0.88	0.75	0.86
21	A"	745	707	0.65	8.52	0.75	0.86
22	A"	660	626	0.08	1.43	0.75	0.86
23	A"	408	387	8.89	1.45	0.75	0.86
24	A"	132	125	0.33	1.62	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.290	1.887
C2	0.000	0.576
C3	1.369	0.065
C4	1.734	-1.227
Cl5	-1.295	-0.587
H6	0.520	2.609
H7	-1.311	2.248
H8	2.133	0.840
H9	2.783	-1.499
H10	1.002	-2.025

	C1	C2	C3	C4	Cl5	H6	H7	H8	H9	H10
C1		1.3432	2.4648	3.7140	2.6706	1.0846	1.0824	2.6395	4.5727	4.1201
C2	1.3432		1.4616	2.5011	1.7402	2.0981	2.1245	2.1492	3.4712	2.7870
C3	2.4648	1.4616		1.3420	2.7426	2.6818	3.4566	1.0881	2.1079	2.1220
C4	3.7140	2.5011	1.3420		3.0953	4.0227	4.6197	2.1050	1.0838	1.0835
Cl5	2.6706	1.7402	2.7426	3.0953		3.6749	2.8350	3.7127	4.1783	2.7091
H6	1.0846	2.0981	2.6818	4.0227	3.6749		1.8659	2.3934	4.6895	4.6585
H7	1.0824	2.1245	3.4566	4.6197	2.8350	1.8659		3.7202	5.5494	4.8583
H8	2.6395	2.1492	1.0881	2.1050	3.7127	2.3934	3.7202		2.4276	3.0805
H9	4.5727	3.4712	2.1079	1.0838	4.1783	4.6895	5.5494	2.4276		1.8577
H10	4.1201	2.7870	2.1220	1.0835	2.7091	4.6585	4.8583	3.0805	1.8577

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	122.934	C1	C2	Cl5	119.464
C2	C1	H6	119.207	C2	C1	H7	121.923
C2	C3	C4	126.225	C2	C3	H8	114.095
C3	C2	Cl5	117.602	C3	C4	H9	120.303
C3	C4	H10	121.703	C4	C3	H8	119.680
H6	C1	H7	118.870	H9	C4	H10	117.995

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-311G**

States and conformations

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