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	hartrees
Energy at 0K	-612.558806
Energy at 298.15K	-612.566180
HF Energy	-612.064415
Nuclear repulsion energy	206.120949

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3258	3099	14.62
2	A	3205	3049	6.56
3	A	3197	3041	2.03
4	A	3169	3014	7.85
5	A	3141	2988	16.28
6	A	3127	2975	3.77
7	A	3072	2922	10.52
8	A	1692	1609	2.60
9	A	1573	1496	6.14
10	A	1562	1486	8.17
11	A	1534	1460	2.64
12	A	1419	1349	5.13
13	A	1392	1324	25.68
14	A	1378	1310	1.41
15	A	1313	1249	0.70
16	A	1244	1184	0.27
17	A	1167	1110	1.65
18	A	1061	1010	9.37
19	A	1051	1000	13.17
20	A	1014	964	3.88
21	A	969	922	43.10
22	A	935	890	17.30
23	A	828	788	2.41
24	A	682	648	14.10
25	A	660	628	26.14
26	A	465	442	1.67
27	A	374	356	0.58
28	A	256	244	1.88
29	A	131	124	2.22
30	A	77	73	0.13

Atom	x (Å)	y (Å)	z (Å)
H1	3.226	-1.319	-0.430
C2	1.416	-0.425	0.234
H3	3.169	0.526	-0.504
C4	2.664	-0.406	-0.259
H5	0.274	0.876	1.530
C6	0.583	0.821	0.480
H7	-1.224	1.802	-0.278
H8	-0.409	0.738	-1.464
C9	-0.674	0.870	-0.414
H10	0.934	-1.371	0.471
H11	1.186	1.712	0.253
Cl12	-1.829	-0.478	0.010

	H1	C2	H3	C4	H5	C6	H7	H8	C9	H10	H11	Cl12
H1		2.1252	1.8471	1.0856	4.1686	3.5197	5.4374	4.3018	4.4720	2.4633	3.7167	5.1431
C2	2.1252		2.1270	1.3424	2.1626	1.5183	3.4917	2.7503	2.5426	1.0879	2.1495	3.2529
H3	1.8471	2.1270		1.0878	3.5561	2.7824	4.5809	3.7107	3.8598	3.0898	2.4317	5.1239
C4	1.0856	1.3424	1.0878		3.2495	2.5258	4.4715	3.4929	3.5769	2.1116	2.6329	4.5017
H5	4.1686	2.1626	3.5561	3.2495		1.0966	2.5238	3.0738	2.1631	2.5706	1.7783	2.9263
C6	3.5197	1.5183	2.7824	2.5258	1.0966		2.1918	2.1836	1.5436	2.2199	1.0996	2.7795
H7	5.4374	3.4917	4.5809	4.4715	2.5238	2.1918		1.7901	1.0910	3.9099	2.4700	2.3758
H8	4.3018	2.7503	3.7107	3.4929	3.0738	2.1836	1.7901		1.0905	3.1612	2.5380	2.3805
C9	4.4720	2.5426	3.8598	3.5769	2.1631	1.5436	1.0910	1.0905		2.8968	2.1484	1.8247
H10	2.4633	1.0879	3.0898	2.1116	2.5706	2.2199	3.9099	3.1612	2.8968		3.1013	2.9401
H11	3.7167	2.1495	2.4317	2.6329	1.7783	1.0996	2.4700	2.5380	2.1484	3.1013		3.7343
Cl12	5.1431	3.2529	5.1239	4.5017	2.9263	2.7795	2.3758	2.3805	1.8247	2.9401	3.7343

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	C2	121.809	H1	C4	H3	116.391
C2	C4	H3	121.799	C2	C6	H5	110.550
C2	C6	C9	112.278	C2	C6	H11	109.346
C4	C2	C6	123.881	C4	C2	H10	120.290
H5	C6	C9	108.846	H5	C6	H11	108.137
C6	C2	H10	115.823	C6	C9	H7	111.442
C6	C9	H8	110.810	C6	C9	Cl12	110.942
H7	C9	H8	110.285	H7	C9	Cl12	106.408
H8	C9	Cl12	106.764	C9	C6	H11	107.556

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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