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	hartrees
Energy at 0K	-41.300889
Energy at 298.15K	-41.308186
HF Energy	-40.685452
Nuclear repulsion energy	89.648338

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3285	3119	22.16
2	A	3219	3056	4.37
3	A	3214	3051	18.48
4	A	3184	3023	11.88
5	A	3159	2999	19.22
6	A	3129	2971	28.63
7	A	3089	2933	23.66
8	A	1708	1621	4.02
9	A	1512	1435	1.71
10	A	1501	1425	14.78
11	A	1468	1394	3.46
12	A	1386	1316	2.11
13	A	1365	1296	42.68
14	A	1320	1253	2.81
15	A	1284	1219	0.07
16	A	1207	1146	0.05
17	A	1156	1097	2.91
18	A	1058	1004	6.10
19	A	1028	976	34.04
20	A	1016	964	9.06
21	A	911	865	13.26
22	A	882	838	54.79
23	A	838	795	4.82
24	A	711	675	20.75
25	A	668	634	17.62
26	A	457	434	1.58
27	A	362	344	0.41
28	A	251	238	1.92
29	A	130	123	2.07
30	A	76	72	0.15

Atom	x (Å)	y (Å)	z (Å)
H1	3.272	-1.304	-0.426
C2	1.416	-0.436	0.228
H3	3.187	0.569	-0.486
C4	2.697	-0.385	-0.258
H5	0.270	0.855	1.537
C6	0.578	0.806	0.477
H7	-1.237	1.807	-0.245
H8	-0.436	0.753	-1.469
C9	-0.688	0.865	-0.403
H10	0.960	-1.408	0.450
H11	1.179	1.707	0.253
Cl12	-1.836	-0.475	0.007

	H1	C2	H3	C4	H5	C6	H7	H8	C9	H10	H11	Cl12
H1		2.1507	1.8751	1.0968	4.1867	3.5386	5.4809	4.3669	4.5149	2.4746	3.7292	5.1926
C2	2.1507		2.1578	1.3711	2.1669	1.5184	3.5060	2.7791	2.5524	1.0963	2.1564	3.2593
H3	1.8751	2.1578		1.0961	3.5621	2.7914	4.6006	3.7592	3.8876	3.1214	2.4239	5.1540
C4	1.0968	1.3711	1.0961		3.2637	2.5392	4.5035	3.5470	3.6113	2.1366	2.6348	4.5415
H5	4.1867	2.1669	3.5621	3.2637		1.1059	2.5206	3.0902	2.1636	2.6036	1.7896	2.9231
C6	3.5386	1.5184	2.7914	2.5392	1.1059		2.1947	2.1948	1.5423	2.2462	1.1067	2.7723
H7	5.4809	3.5060	4.6006	4.5035	2.5206	2.1947		1.8031	1.1021	3.9555	2.4689	2.3732
H8	4.3669	2.7791	3.7592	3.5470	3.0902	2.1948	1.8031		1.1017	3.2099	2.5471	2.3763
C9	4.5149	2.5524	3.8876	3.6113	2.1636	1.5423	1.1021	1.1017		2.9338	2.1510	1.8111
H10	2.4746	1.0963	3.1214	2.1366	2.6036	2.2462	3.9555	3.2099	2.9338		3.1290	2.9804
H11	3.7292	2.1564	2.4239	2.6348	1.7896	1.1067	2.4689	2.5471	2.1510	3.1290		3.7302
Cl12	5.1926	3.2593	5.1540	4.5415	2.9231	2.7723	2.3732	2.3763	1.8111	2.9804	3.7302

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	C2	120.857	H1	C4	H3	117.538
C2	C4	H3	121.604	C2	C6	H5	110.338
C2	C6	C9	113.013	C2	C6	H11	109.461
C4	C2	C6	122.914	C4	C2	H10	119.566
H5	C6	C9	108.450	H5	C6	H11	107.967
C6	C2	H10	117.520	C6	C9	H7	111.096
C6	C9	H8	111.128	C6	C9	Cl12	111.275
H7	C9	H8	109.809	H7	C9	Cl12	106.552
H8	C9	Cl12	106.792	C9	C6	H11	107.450

All results from a given calculation for CH₂CHCH₂CH₂Cl (1-Butene, 4-chloro-)

using model chemistry: MP2/CEP-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 CH2CHCH2CH2Cl (1-Butene, 4-chloro-)

using model chemistry: MP2/CEP-31G*

States and conformations

All results from a given calculation for CH₂CHCH₂CH₂Cl (1-Butene, 4-chloro-)