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	hartrees
Energy at 0K	-41.305179
Energy at 298.15K	-41.312357
HF Energy	-40.687433
Nuclear repulsion energy	90.929572

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3290	3124	18.27
2	A	3212	3050	6.46
3	A	3203	3041	21.67
4	A	3190	3029	25.80
5	A	3187	3025	7.30
6	A	3157	2998	9.08
7	A	3088	2932	19.59
8	A	1702	1616	0.70
9	A	1519	1442	4.08
10	A	1512	1435	6.75
11	A	1474	1399	11.09
12	A	1440	1367	5.01
13	A	1349	1281	2.33
14	A	1317	1250	5.86
15	A	1295	1230	23.51
16	A	1221	1159	11.48
17	A	1139	1081	2.03
18	A	1070	1016	45.89
19	A	1021	969	27.62
20	A	983	933	5.06
21	A	895	849	6.77
22	A	885	841	55.37
23	A	738	701	39.17
24	A	659	626	6.07
25	A	461	438	3.11
26	A	327	310	1.23
27	A	305	290	0.88
28	A	292	277	3.58
29	A	258	245	0.36
30	A	94	89	0.12

Atom	x (Å)	y (Å)	z (Å)
H1	3.247	-0.770	0.420
C2	1.197	-0.124	0.449
H3	2.461	-0.483	-1.258
C4	2.368	-0.476	-0.166
H5	0.168	0.243	-1.408
C6	-0.021	0.326	-0.325
H7	-0.681	1.818	1.126
H8	-1.375	2.034	-0.514
H9	0.346	2.459	-0.202
C10	-0.468	1.752	0.046
H11	1.110	-0.133	1.543
Cl12	-1.396	-0.826	0.016

	H1	C2	H3	C4	H5	C6	H7	H8	H9	C10	H11	Cl12
H1		2.1499	1.8757	1.0964	3.7215	3.5266	4.7562	5.4863	4.3856	4.5055	2.4959	4.6608
C2	2.1499		2.1542	1.3696	2.1542	1.5114	2.7843	3.4924	2.7962	2.5399	1.0973	2.7207
H3	1.8757	2.1542		1.0957	2.4096	2.7718	4.5657	4.6477	3.7741	3.9076	3.1289	4.0763
C4	1.0964	1.3696	1.0957		2.6271	2.5256	4.0287	4.5208	3.5652	3.6131	2.1496	3.7851
H5	3.7215	2.1542	2.4096	2.6271		1.1020	3.1017	2.5272	2.5290	2.1894	3.1203	2.3701
C6	3.5266	1.5114	2.7718	2.5256	1.1020		2.1834	2.1878	2.1678	1.5397	2.2318	1.8260
H7	4.7562	2.7843	4.5657	4.0287	3.1017	2.1834		1.7943	1.7968	1.1033	2.6810	2.9548
H8	5.4863	3.4924	4.6477	4.5208	2.5272	2.1878	1.7943		1.7996	1.1029	3.8866	2.9086
H9	4.3856	2.7962	3.7741	3.5652	2.5290	2.1678	1.7968	1.7996		1.1056	3.2170	3.7243
C10	4.5055	2.5399	3.9076	3.6131	2.1894	1.5397	1.1033	1.1029	1.1056		2.8785	2.7401
H11	2.4959	1.0973	3.1289	2.1496	3.1203	2.2318	2.6810	3.8866	3.2170	2.8785		3.0153
Cl12	4.6608	2.7207	4.0763	3.7851	2.3701	1.8260	2.9548	2.9086	3.7243	2.7401	3.0153

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	C2	120.938	H1	C4	H3	117.660
C2	C4	H3	121.400	C2	C6	H5	110.042
C2	C6	C10	112.696	C2	C6	Cl12	108.850
C4	C2	C6	122.401	C4	C2	H11	120.841
H5	C6	C10	110.860	H5	C6	Cl12	105.401
C6	C2	H11	116.741	C6	C10	H7	110.306
C6	C10	H8	110.679	C6	C10	H9	108.961
H7	C10	H8	108.840	H7	C10	H9	108.874
H8	C10	H9	109.150	C10	C6	Cl12	108.703

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

using model chemistry: MP2/CEP-31G*

States and conformations

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