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	hartrees
Energy at 0K	-615.753702
Energy at 298.15K	-615.761005
HF Energy	-615.023047
Nuclear repulsion energy	212.933805

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3365	3161	1.68
2	A'	3261	3063	0.30
3	A'	3224	3028	20.17
4	A'	3127	2937	20.77
5	A'	3120	2930	12.50
6	A'	1713	1609	36.44
7	A'	1557	1462	5.06
8	A'	1522	1430	6.78
9	A'	1472	1383	2.32
10	A'	1454	1366	2.73
11	A'	1413	1327	8.80
12	A'	1190	1118	57.04
13	A'	1108	1041	2.71
14	A'	1052	988	2.63
15	A'	904	849	8.75
16	A'	708	665	23.90
17	A'	437	410	0.85
18	A'	371	349	2.15
19	A'	262	246	0.31
20	A"	3226	3030	23.00
21	A"	3167	2975	4.85
22	A"	1542	1449	8.34
23	A"	1314	1234	1.01
24	A"	1138	1069	1.87
25	A"	867	814	54.48
26	A"	823	773	0.48
27	A"	706	663	0.01
28	A"	417	392	6.69
29	A"	266	250	0.19
30	A"	87	81	0.46

Atom	x (Å)	y (Å)	z (Å)
C1	2.083	-1.152	0.000
H2	2.408	-2.191	0.000
H3	2.499	-0.670	0.883
H4	2.499	-0.670	-0.883
C5	0.563	-1.087	0.000
H6	0.166	-1.611	-0.872
H7	0.166	-1.611	0.872
C8	0.687	1.451	0.000
H9	1.766	1.436	0.000
C10	0.000	0.303	0.000
Cl11	-1.747	0.343	0.000
H12	0.189	2.407	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	H9	C10	Cl11	H12
C1		1.0882	1.0884	1.0884	1.5218	2.1558	2.1558	2.9533	2.6078	2.5411	4.1113	4.0317
H2	1.0882		1.7606	1.7606	2.1501	2.4747	2.4747	4.0273	3.6835	3.4666	4.8662	5.1051
H3	1.0884	1.7606		1.7659	2.1685	3.0674	2.5157	2.9258	2.3991	2.8236	4.4534	3.9479
H4	1.0884	1.7606	1.7659		2.1685	2.5157	3.0674	2.9258	2.3991	2.8236	4.4534	3.9479
C5	1.5218	2.1501	2.1685	2.1685		1.0920	1.0920	2.5405	2.7952	1.4996	2.7163	3.5138
H6	2.1558	2.4747	3.0674	2.5157	1.0920		1.7442	3.2255	3.5503	2.1096	2.8695	4.1113
H7	2.1558	2.4747	2.5157	3.0674	1.0920	1.7442		3.2255	3.5503	2.1096	2.8695	4.1113
C8	2.9533	4.0273	2.9258	2.9258	2.5405	3.2255	3.2255		1.0783	1.3377	2.6744	1.0784
H9	2.6078	3.6835	2.3991	2.3991	2.7952	3.5503	3.5503	1.0783		2.0981	3.6787	1.8514
C10	2.5411	3.4666	2.8236	2.8236	1.4996	2.1096	2.1096	1.3377	2.0981		1.7472	2.1124
Cl11	4.1113	4.8662	4.4534	4.4534	2.7163	2.8695	2.8695	2.6744	3.6787	1.7472		2.8299
H12	4.0317	5.1051	3.9479	3.9479	3.5138	4.1113	4.1113	1.0784	1.8514	2.1124	2.8299

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.041	C1	C5	H7	110.041
C1	C5	C10	114.501	H2	C1	H3	107.964
H2	C1	H4	107.964	H2	C1	C5	109.818
H3	C1	H4	108.432	H3	C1	C5	111.272
H4	C1	C5	111.272	C5	C10	C8	127.031
C5	C10	Cl11	113.348	H6	C5	H7	105.990
H6	C5	C10	107.946	H7	C5	C10	107.946
C8	C10	Cl11	119.621	H9	C8	C10	120.167
H9	C8	H12	118.280	C10	C8	H12	121.554

All results from a given calculation for CH₂CClCH₂CH₃ (1-Butene, 2-chloro-)

using model chemistry: MP2=FULL/6-31+G**

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 CH2CClCH2CH3 (1-Butene, 2-chloro-)

using model chemistry: MP2=FULL/6-31+G**

States and conformations

All results from a given calculation for CH₂CClCH₂CH₃ (1-Butene, 2-chloro-)