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	hartrees
Energy at 0K	-614.454845
Energy at 298.15K
HF Energy	-613.817449
Nuclear repulsion energy	197.216562

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'	3330	3140	1.76	50.29	0.74	0.85
2	A'	3327	3137	3.90	63.95	0.69	0.82
3	A'	3233	3049	2.36	141.31	0.12	0.22
4	A'	3227	3044	1.32	78.06	0.13	0.23
5	A'	3212	3029	3.76	28.23	0.57	0.73
6	A'	1729	1630	4.05	73.82	0.30	0.46
7	A'	1664	1569	23.50	1.81	0.38	0.55
8	A'	1498	1412	0.74	41.28	0.42	0.59
9	A'	1446	1363	4.45	2.36	0.46	0.63
10	A'	1350	1273	0.11	15.99	0.37	0.54
11	A'	1286	1213	43.73	10.77	0.47	0.64
12	A'	1064	1003	7.46	3.21	0.65	0.79
13	A'	934	881	7.30	0.34	0.45	0.62
14	A'	659	622	19.41	8.45	0.15	0.25
15	A'	538	507	0.76	3.95	0.63	0.77
16	A'	397	374	1.33	2.89	0.75	0.86
17	A'	254	240	0.09	2.03	0.70	0.82
18	A"	1009	951	28.26	0.19	0.75	0.86
19	A"	928	876	35.68	0.17	0.75	0.86
20	A"	879	829	49.24	0.22	0.75	0.86
21	A"	758	715	1.13	15.52	0.75	0.86
22	A"	670	632	0.53	2.11	0.75	0.86
23	A"	412	389	5.25	4.22	0.75	0.86
24	A"	136	128	0.23	2.78	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.299	1.888
C2	0.000	0.579
C3	1.370	0.071
C4	1.740	-1.219
Cl5	-1.293	-0.595
H6	0.501	2.621
H7	-1.322	2.245
H8	2.132	0.850
H9	2.789	-1.491
H10	1.014	-2.025

	C1	C2	C3	C4	Cl5	H6	H7	H8	H9	H10
C1		1.3432	2.4675	3.7161	2.6743	1.0851	1.0831	2.6437	4.5778	4.1271
C2	1.3432		1.4614	2.5014	1.7461	2.1027	2.1273	2.1493	3.4731	2.7937
C3	2.4675	1.4614		1.3418	2.7455	2.6936	3.4605	1.0892	2.1103	2.1258
C4	3.7161	2.5014	1.3418		3.0962	4.0343	4.6231	2.1056	1.0843	1.0840
Cl5	2.6743	1.7461	2.7455	3.0962		3.6822	2.8406	3.7173	4.1794	2.7144
H6	1.0851	2.1027	2.6936	4.0343	3.6822		1.8609	2.4074	4.7054	4.6734
H7	1.0831	2.1273	3.4605	4.6231	2.8406	1.8609		3.7250	5.5552	4.8673
H8	2.6437	2.1493	1.0892	2.1056	3.7173	2.4074	3.7250		2.4313	3.0840
H9	4.5778	3.4731	2.1103	1.0843	4.1794	4.7054	5.5552	2.4313		1.8533
H10	4.1271	2.7937	2.1258	1.0840	2.7144	4.6734	4.8673	3.0840	1.8533

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.185	C1	C2	Cl5	119.351
C2	C1	H6	119.602	C2	C1	H7	122.150
C2	C3	C4	126.281	C2	C3	H8	114.054
C3	C2	Cl5	117.464	C3	C4	H9	120.504
C3	C4	H10	122.040	C4	C3	H8	119.665
H6	C1	H7	118.248	H9	C4	H10	117.457

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-)