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	hartrees
Energy at 0K	-612.563505
Energy at 298.15K	-612.570774
HF Energy	-612.067258
Nuclear repulsion energy	211.055772

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3263	3105	10.99
2	A	3191	3036	4.64
3	A	3182	3027	10.35
4	A	3173	3019	7.59
5	A	3169	3014	9.86
6	A	3136	2983	2.36
7	A	3090	2940	8.69
8	A	1687	1605	1.35
9	A	1595	1517	4.61
10	A	1587	1510	6.79
11	A	1533	1459	4.71
12	A	1492	1419	8.18
13	A	1386	1318	0.99
14	A	1371	1305	0.50
15	A	1318	1254	26.47
16	A	1230	1170	10.06
17	A	1137	1081	9.34
18	A	1088	1035	14.49
19	A	1043	993	24.20
20	A	1022	973	8.97
21	A	975	927	40.54
22	A	878	835	10.75
23	A	735	699	36.72
24	A	653	621	10.80
25	A	461	438	5.40
26	A	335	319	1.02
27	A	311	295	0.69
28	A	295	281	3.25
29	A	268	254	0.24
30	A	93	89	0.16

Atom	x (Å)	y (Å)	z (Å)
H1	3.218	-0.808	0.428
C2	1.198	-0.153	0.430
H3	2.478	-0.486	-1.234
C4	2.356	-0.498	-0.154
H5	0.165	0.251	-1.412
C6	-0.010	0.326	-0.335
H7	-0.627	1.805	1.130
H8	-1.317	2.063	-0.492
H9	0.401	2.440	-0.183
C10	-0.421	1.758	0.057
H11	1.084	-0.179	1.512
Cl12	-1.420	-0.805	0.016

	H1	C2	H3	C4	H5	C6	H7	H8	H9	C10	H11	Cl12
H1		2.1235	1.8481	1.0853	3.7184	3.5057	4.7015	5.4456	4.3424	4.4682	2.4749	4.6564
C2	2.1235		2.1255	1.3418	2.1497	1.5082	2.7669	3.4765	2.7813	2.5323	1.0886	2.7295
H3	1.8481	2.1255		1.0873	2.4336	2.7672	4.5254	4.6314	3.7391	3.8866	3.0950	4.1056
C4	1.0853	1.3418	1.0873		2.6350	2.5122	3.9813	4.4905	3.5291	3.5842	2.1202	3.7922
H5	3.7184	2.1497	2.4336	2.6350		1.0933	3.0830	2.5156	2.5223	2.1843	3.0947	2.3799
C6	3.5057	1.5082	2.7672	2.5122	1.0933		2.1714	2.1793	2.1594	1.5401	2.2055	1.8411
H7	4.7015	2.7669	4.5254	3.9813	3.0830	2.1714		1.7812	1.7845	1.0940	2.6475	2.9465
H8	5.4456	3.4765	4.6314	4.4905	2.5156	2.1793	1.7812		1.7864	1.0936	3.8477	2.9142
H9	4.3424	2.7813	3.7391	3.5291	2.5223	2.1594	1.7845	1.7864		1.0957	3.1934	3.7267
C10	4.4682	2.5323	3.8866	3.5842	2.1843	1.5401	1.0940	1.0936	1.0957		2.8520	2.7504
H11	2.4749	1.0886	3.0950	2.1202	3.0947	2.2055	2.6475	3.8477	3.1934	2.8520		2.9834
Cl12	4.6564	2.7295	4.1056	3.7922	2.3799	1.8411	2.9465	2.9142	3.7267	2.7504	2.9834

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	C2	121.709	H1	C4	H3	116.558
C2	C4	H3	121.732	C2	C6	H5	110.433
C2	C6	C10	112.346	C2	C6	Cl12	108.758
C4	C2	C6	123.531	C4	C2	H11	121.118
H5	C6	C10	110.948	H5	C6	Cl12	105.546
C6	C2	H11	115.330	C6	C10	H7	109.890
C6	C10	H8	110.531	C6	C10	H9	108.849
H7	C10	H8	109.019	H7	C10	H9	109.170
H8	C10	H9	109.361	C10	C6	Cl12	108.539

All results from a given calculation for CH₂CHCHClCH₃ (1-Butene, 3-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 CH2CHCHClCH3 (1-Butene, 3-chloro-)

using model chemistry: MP2/3-21G*

States and conformations

All results from a given calculation for CH₂CHCHClCH₃ (1-Butene, 3-chloro-)