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	hartrees
Energy at 0K	-615.706578
Energy at 298.15K	-615.713974
HF Energy	-615.018355
Nuclear repulsion energy	208.062118

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3338	3126	13.24
2	A	3260	3053	3.59
3	A	3245	3039	10.57
4	A	3235	3030	7.00
5	A	3181	2979	21.60
6	A	3169	2968	9.28
7	A	3119	2921	15.03
8	A	1738	1627	2.30
9	A	1541	1443	2.81
10	A	1528	1431	9.45
11	A	1501	1405	2.31
12	A	1404	1315	1.23
13	A	1388	1300	39.90
14	A	1347	1261	2.83
15	A	1298	1215	0.08
16	A	1231	1153	0.03
17	A	1169	1095	2.71
18	A	1075	1006	2.53
19	A	1048	982	20.02
20	A	1036	970	3.96
21	A	942	882	31.73
22	A	936	876	13.65
23	A	848	794	3.58
24	A	724	678	18.90
25	A	675	632	11.19
26	A	461	431	1.44
27	A	367	344	0.29
28	A	254	238	1.49
29	A	133	125	1.95
30	A	80	75	0.14

Atom	x (Å)	y (Å)	z (Å)
H1	3.229	-1.289	-0.421
C2	1.412	-0.425	0.227
H3	3.143	0.552	-0.493
C4	2.659	-0.386	-0.255
H5	0.279	0.855	1.517
C6	0.576	0.795	0.468
H7	-1.211	1.784	-0.251
H8	-0.424	0.740	-1.448
C9	-0.677	0.847	-0.396
H10	0.956	-1.380	0.458
H11	1.163	1.690	0.245
Cl12	-1.820	-0.467	0.008

	H1	C2	H3	C4	H5	C6	H7	H8	C9	H10	H11	Cl12
H1		2.1139	1.8443	1.0805	4.1298	3.4888	5.4019	4.3027	4.4519	2.4389	3.6854	5.1333
C2	2.1139		2.1148	1.3378	2.1414	1.4984	3.4620	2.7446	2.5238	1.0838	2.1293	3.2397
H3	1.8443	2.1148		1.0824	3.5130	2.7525	4.5318	3.6978	3.8333	3.0703	2.4001	5.0921
C4	1.0805	1.3378	1.0824		3.2166	2.5015	4.4366	3.4919	3.5593	2.0973	2.6069	4.4875
H5	4.1298	2.1414	3.5130	3.2166		1.0925	2.4920	3.0495	2.1385	2.5645	1.7606	2.9041
C6	3.4888	1.4984	2.7525	2.5015	1.0925		2.1648	2.1614	1.5224	2.2087	1.0933	2.7471
H7	5.4019	3.4620	4.5318	4.4366	2.4920	2.1648		1.7720	1.0875	3.9001	2.4273	2.3464
H8	4.3027	2.7446	3.6978	3.4919	3.0495	2.1614	1.7720		1.0875	3.1677	2.5070	2.3507
C9	4.4519	2.5238	3.8333	3.5593	2.1385	1.5224	1.0875	1.0875		2.8911	2.1229	1.7882
H10	2.4389	1.0838	3.0703	2.0973	2.5645	2.2087	3.9001	3.1677	2.8911		3.0848	2.9569
H11	3.6854	2.1293	2.4001	2.6069	1.7606	1.0933	2.4273	2.5070	2.1229	3.0848		3.6893
Cl12	5.1333	3.2397	5.0921	4.4875	2.9041	2.7471	2.3464	2.3507	1.7882	2.9569	3.6893

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	C2	121.520	H1	C4	H3	117.018
C2	C4	H3	121.461	C2	C6	H5	110.503
C2	C6	C9	113.325	C2	C6	H11	109.491
C4	C2	C6	123.667	C4	C2	H10	119.650
H5	C6	C9	108.623	H5	C6	H11	107.313
C6	C2	H10	116.682	C6	C9	H7	110.987
C6	C9	H8	110.717	C6	C9	Cl12	111.905
H7	C9	H8	109.117	H7	C9	Cl12	106.814
H8	C9	Cl12	107.132	C9	C6	H11	107.366

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

using model chemistry: MP2/6-31G**

States and conformations

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