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	hartrees
Energy at 0K	-615.701141
Energy at 298.15K	-615.708507
HF Energy	-615.007981
Nuclear repulsion energy	212.304772

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3325	3121	2.76
2	A'	3238	3040	0.28
3	A'	3190	2994	21.36
4	A'	3109	2918	16.02
5	A'	3101	2911	11.57
6	A'	1763	1654	29.20
7	A'	1570	1473	5.04
8	A'	1548	1453	5.63
9	A'	1482	1391	2.98
10	A'	1470	1380	3.36
11	A'	1431	1344	8.95
12	A'	1201	1127	56.18
13	A'	1117	1049	1.52
14	A'	1058	993	2.59
15	A'	907	851	7.50
16	A'	710	667	24.43
17	A'	439	412	1.04
18	A'	372	349	2.44
19	A'	262	246	0.41
20	A"	3190	2994	25.24
21	A"	3136	2944	6.85
22	A"	1559	1463	7.57
23	A"	1334	1252	0.28
24	A"	1157	1086	0.96
25	A"	905	849	48.40
26	A"	833	781	0.72
27	A"	718	674	0.05
28	A"	444	416	4.63
29	A"	278	261	0.02
30	A"	96	90	0.51

Atom	x (Å)	y (Å)	z (Å)
C1	2.107	-1.129	0.000
H2	2.446	-2.169	0.000
H3	2.519	-0.639	0.887
H4	2.519	-0.639	-0.887
C5	0.581	-1.082	0.000
H6	0.188	-1.615	-0.875
H7	0.188	-1.615	0.875
C8	0.663	1.462	0.000
H9	1.746	1.476	0.000
C10	0.000	0.307	0.000
Cl11	-1.756	0.320	0.000
H12	0.149	2.415	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	H9	C10	Cl11	H12
C1		1.0936	1.0939	1.0939	1.5268	2.1639	2.1639	2.9661	2.6300	2.5495	4.1257	4.0494
H2	1.0936		1.7693	1.7693	2.1590	2.4843	2.4843	4.0449	3.7113	3.4802	4.8840	5.1276
H3	1.0939	1.7693		1.7738	2.1772	3.0804	2.5270	2.9407	2.4206	2.8333	4.4704	3.9670
H4	1.0939	1.7693	1.7738		2.1772	2.5270	3.0804	2.9407	2.4206	2.8333	4.4704	3.9670
C5	1.5268	2.1590	2.1772	2.1772		1.0968	1.0968	2.5452	2.8112	1.5054	2.7251	3.5241
H6	2.1639	2.4843	3.0804	2.5270	1.0968		1.7494	3.2335	3.5702	2.1196	2.8789	4.1242
H7	2.1639	2.4843	2.5270	3.0804	1.0968	1.7494		3.2335	3.5702	2.1196	2.8789	4.1242
C8	2.9661	4.0449	2.9407	2.9407	2.5452	3.2335	3.2335		1.0835	1.3316	2.6747	1.0834
H9	2.6300	3.7113	2.4206	2.4206	2.8112	3.5702	3.5702	1.0835		2.1015	3.6881	1.8532
C10	2.5495	3.4802	2.8333	2.8333	1.5054	2.1196	2.1196	1.3316	2.1015		1.7562	2.1139
Cl11	4.1257	4.8840	4.4704	4.4704	2.7251	2.8789	2.8789	2.6747	3.6881	1.7562		2.8317
H12	4.0494	5.1276	3.9670	3.9670	3.5241	4.1242	4.1242	1.0834	1.8532	2.1139	2.8317

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.052	C1	C5	H7	110.052
C1	C5	C10	114.450	H2	C1	H3	107.971
H2	C1	H4	107.971	H2	C1	C5	109.854
H3	C1	H4	108.348	H3	C1	C5	111.288
H4	C1	C5	111.288	C5	C10	C8	127.470
C5	C10	Cl11	113.118	H6	C5	H7	105.782
H6	C5	C10	108.059	H7	C5	C10	108.059
C8	C10	Cl11	119.412	H9	C8	C10	120.601
H9	C8	H12	117.571	C10	C8	H12	121.829

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

using model chemistry: MP3/6-31G*

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 CH2CClCH2CH3 (1-Butene, 2-chloro-)

using model chemistry: MP3/6-31G*

States and conformations

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