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	hartrees
Energy at 0K	-615.327372
Energy at 298.15K	-615.334596
HF Energy	-614.930089
Nuclear repulsion energy	201.768997

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3251	3138	29.53
2	A	3189	3078	18.27
3	A	3169	3059	6.86
4	A	3135	3026	14.86
5	A	3102	2994	41.16
6	A	3088	2981	7.92
7	A	3025	2920	25.59
8	A	1657	1600	6.43
9	A	1507	1454	2.79
10	A	1504	1452	14.67
11	A	1486	1434	4.03
12	A	1403	1355	5.20
13	A	1369	1322	32.05
14	A	1334	1288	0.58
15	A	1280	1236	0.27
16	A	1190	1148	0.50
17	A	1148	1108	1.46
18	A	1052	1015	3.07
19	A	1024	988	22.29
20	A	1007	972	18.08
21	A	922	890	13.94
22	A	884	853	54.61
23	A	831	802	2.04
24	A	663	640	14.94
25	A	619	598	18.63
26	A	452	437	2.00
27	A	351	339	0.58
28	A	247	238	2.41
29	A	122	117	2.18
30	A	78	75	0.18

Atom	x (Å)	y (Å)	z (Å)
H1	3.308	-1.323	-0.430
C2	1.447	-0.445	0.197
H3	3.262	0.542	-0.414
C4	2.743	-0.407	-0.240
H5	0.294	0.822	1.541
C6	0.606	0.803	0.480
H7	-1.204	1.848	-0.247
H8	-0.418	0.773	-1.479
C9	-0.657	0.909	-0.414
H10	0.961	-1.414	0.364
H11	1.224	1.705	0.291
Cl12	-1.898	-0.477	0.014

	H1	C2	H3	C4	H5	C6	H7	H8	C9	H10	H11	Cl12
H1		2.1512	1.8660	1.0935	4.1917	3.5565	5.5178	4.4010	4.5498	2.4792	3.7456	5.2921
C2	2.1512		2.1545	1.3679	2.1773	1.5312	3.5330	2.7870	2.5754	1.0973	2.1631	3.3497
H3	1.8660	2.1545		1.0955	3.5648	2.8143	4.6561	3.8372	3.9360	3.1189	2.4497	5.2765
C4	1.0935	1.3679	1.0955		3.2676	2.5586	4.5453	3.5932	3.6494	2.1341	2.6543	4.6475
H5	4.1917	2.1773	3.5648	3.2676		1.1062	2.5485	3.1031	2.1764	2.6143	1.7905	2.9711
C6	3.5565	1.5312	2.8143	2.5586	1.1062		2.2130	2.2104	1.5514	2.2489	1.1091	2.8507
H7	5.5178	3.5330	4.6561	4.5453	2.5485	2.2130		1.8144	1.0997	3.9625	2.4915	2.4402
H8	4.4010	2.7870	3.8372	3.5932	3.1031	2.2104	1.8144		1.0995	3.1744	2.5878	2.4454
C9	4.5498	2.5754	3.9360	3.6494	2.1764	1.5514	1.0997	1.0995		2.9358	2.1612	1.9086
H10	2.4792	1.0973	3.1189	2.1341	2.6143	2.2489	3.9625	3.1744	2.9358		3.1311	3.0283
H11	3.7456	2.1631	2.4497	2.6543	1.7905	1.1091	2.4915	2.5878	2.1612	3.1311		3.8189
Cl12	5.2921	3.3497	5.2765	4.6475	2.9711	2.8507	2.4402	2.4454	1.9086	3.0283	3.8189

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	C2	121.447	H1	C4	H3	116.959
C2	C4	H3	121.594	C2	C6	H5	110.243
C2	C6	C9	113.326	C2	C6	H11	108.969
C4	C2	C6	123.802	C4	C2	H10	119.518
H5	C6	C9	108.799	H5	C6	H11	107.846
C6	C2	H10	116.680	C6	C9	H7	112.052
C6	C9	H8	111.855	C6	C9	Cl12	110.528
H7	C9	H8	111.186	H7	C9	Cl12	105.225
H8	C9	Cl12	105.594	C9	C6	H11	107.482

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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