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	hartrees
Energy at 0K	-40.953970
Energy at 298.15K	-40.961174
HF Energy	-40.599052
Nuclear repulsion energy	87.856155

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3245	3136	45.31
2	A	3196	3089	27.57
3	A	3171	3064	8.69
4	A	3137	3031	24.39
5	A	3111	3006	42.99
6	A	3097	2993	24.50
7	A	3037	2934	35.96
8	A	1657	1601	4.52
9	A	1498	1448	2.13
10	A	1495	1445	14.42
11	A	1474	1425	3.69
12	A	1396	1349	5.87
13	A	1371	1324	42.90
14	A	1330	1285	0.72
15	A	1277	1234	0.14
16	A	1188	1148	0.22
17	A	1148	1110	1.64
18	A	1054	1018	7.07
19	A	1025	990	28.29
20	A	1009	975	15.03
21	A	915	884	14.63
22	A	881	852	58.09
23	A	830	802	2.17
24	A	661	638	17.28
25	A	632	611	22.41
26	A	448	433	1.82
27	A	349	337	0.47
28	A	242	234	2.35
29	A	115	111	2.27
30	A	76	73	0.24

Atom	x (Å)	y (Å)	z (Å)
H1	3.355	-1.311	-0.434
C2	1.461	-0.455	0.200
H3	3.287	0.569	-0.412
C4	2.776	-0.393	-0.244
H5	0.294	0.814	1.553
C6	0.607	0.797	0.485
H7	-1.211	1.850	-0.250
H8	-0.425	0.762	-1.485
C9	-0.668	0.900	-0.414
H10	0.984	-1.436	0.361
H11	1.220	1.708	0.293
Cl12	-1.915	-0.474	0.013

	H1	C2	H3	C4	H5	C6	H7	H8	C9	H10	H11	Cl12
H1		2.1729	1.8820	1.1021	4.2229	3.5838	5.5566	4.4375	4.5909	2.5037	3.7686	5.3550
C2	2.1729		2.1811	1.3897	2.1915	1.5428	3.5577	2.8066	2.5977	1.1026	2.1787	3.3816
H3	1.8820	2.1811		1.1018	3.5884	2.8352	4.6790	3.8684	3.9686	3.1499	2.4626	5.3223
C4	1.1021	1.3897	1.1018		3.2934	2.5797	4.5748	3.6225	3.6832	2.1605	2.6690	4.6994
H5	4.2229	2.1915	3.5884	3.2934		1.1125	2.5667	3.1217	2.1913	2.6383	1.8009	2.9852
C6	3.5838	1.5428	2.8352	2.5797	1.1125		2.2256	2.2241	1.5638	2.2688	1.1145	2.8637
H7	5.5566	3.5577	4.6790	4.5748	2.5667	2.2256		1.8239	1.1065	3.9992	2.4950	2.4427
H8	4.4375	2.8066	3.8684	3.6225	3.1217	2.2241	1.8239		1.1063	3.1974	2.6008	2.4469
C9	4.5909	2.5977	3.9686	3.6832	2.1913	1.5638	1.1065	1.1063		2.9648	2.1724	1.9039
H10	2.5037	1.1026	3.1499	2.1605	2.6383	2.2688	3.9992	3.1974	2.9648		3.1539	3.0748
H11	3.7686	2.1787	2.4626	2.6690	1.8009	1.1145	2.4950	2.6008	2.1724	3.1539		3.8302
Cl12	5.3550	3.3816	5.3223	4.6994	2.9852	2.8637	2.4427	2.4469	1.9039	3.0748	3.8302

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	C2	120.951	H1	C4	H3	117.283
C2	C4	H3	121.764	C2	C6	H5	110.190
C2	C6	C9	113.477	C2	C6	H11	109.085
C4	C2	C6	123.123	C4	C2	H10	119.746
H5	C6	C9	108.755	H5	C6	H11	107.932
C6	C2	H10	117.130	C6	C9	H7	111.764
C6	C9	H8	111.668	C6	C9	Cl12	110.967
H7	C9	H8	111.023	H7	C9	Cl12	105.383
H8	C9	Cl12	105.688	C9	C6	H11	107.221

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-)