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	hartrees
Energy at 0K	-615.591234
Energy at 298.15K	-615.598726
HF Energy	-615.008643
Nuclear repulsion energy	213.116674

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3393	3134	2.65
2	A'	3305	3053	0.32
3	A'	3247	2999	24.21
4	A'	3168	2926	15.37
5	A'	3163	2921	15.98
6	A'	1821	1682	33.64
7	A'	1604	1482	4.29
8	A'	1580	1460	4.93
9	A'	1520	1404	2.87
10	A'	1509	1394	3.29
11	A'	1470	1357	10.25
12	A'	1229	1136	59.53
13	A'	1145	1057	1.40
14	A'	1080	997	2.28
15	A'	927	856	8.45
16	A'	726	671	27.94
17	A'	450	416	1.11
18	A'	380	351	2.59
19	A'	268	247	0.39
20	A"	3249	3001	29.37
21	A"	3198	2954	7.16
22	A"	1593	1472	7.25
23	A"	1368	1264	0.34
24	A"	1185	1095	0.81
25	A"	976	902	50.00
26	A"	852	787	0.54
27	A"	744	687	0.04
28	A"	465	430	5.20
29	A"	284	262	0.02
30	A"	101	93	0.54

Atom	x (Å)	y (Å)	z (Å)
C1	2.106	-1.120	0.000
H2	2.444	-2.154	0.000
H3	2.518	-0.634	0.883
H4	2.518	-0.634	-0.883
C5	0.584	-1.074	0.000
H6	0.195	-1.605	-0.870
H7	0.195	-1.605	0.870
C8	0.650	1.460	0.000
H9	1.727	1.482	0.000
C10	0.000	0.309	0.000
Cl11	-1.751	0.312	0.000
H12	0.131	2.405	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	H9	C10	Cl11	H12
C1		1.0884	1.0887	1.0887	1.5223	2.1550	2.1550	2.9623	2.6294	2.5445	4.1137	4.0402
H2	1.0884		1.7598	1.7598	2.1508	2.4733	2.4733	4.0352	3.7065	3.4698	4.8661	5.1124
H3	1.0887	1.7598		1.7652	2.1707	3.0679	2.5178	2.9415	2.4250	2.8295	4.4603	3.9633
H4	1.0887	1.7598	1.7652		2.1707	2.5178	3.0679	2.9415	2.4250	2.8295	4.4603	3.9633
C5	1.5223	2.1508	2.1707	2.1707		1.0913	1.0913	2.5350	2.8005	1.5012	2.7153	3.5087
H6	2.1550	2.4733	3.0679	2.5178	1.0913		1.7406	3.2186	3.5550	2.1115	2.8668	4.1042
H7	2.1550	2.4733	2.5178	3.0679	1.0913	1.7406		3.2186	3.5550	2.1115	2.8668	4.1042
C8	2.9623	4.0352	2.9415	2.9415	2.5350	3.2186	3.2186		1.0781	1.3218	2.6608	1.0779
H9	2.6294	3.7065	2.4250	2.4250	2.8005	3.5550	3.5550	1.0781		2.0883	3.6699	1.8436
C10	2.5445	3.4698	2.8295	2.8295	1.5012	2.1115	2.1115	1.3218	2.0883		1.7508	2.1006
Cl11	4.1137	4.8661	4.4603	4.4603	2.7153	2.8668	2.8668	2.6608	3.6699	1.7508		2.8152
H12	4.0402	5.1124	3.9633	3.9633	3.5087	4.1042	4.1042	1.0779	1.8436	2.1006	2.8152

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.991	C1	C5	H7	109.991
C1	C5	C10	114.614	H2	C1	H3	107.864
H2	C1	H4	107.864	H2	C1	C5	109.828
H3	C1	H4	108.338	H3	C1	C5	111.406
H4	C1	C5	111.406	C5	C10	C8	127.669
C5	C10	Cl11	112.999	H6	C5	H7	105.789
H6	C5	C10	108.030	H7	C5	C10	108.030
C8	C10	Cl11	119.332	H9	C8	C10	120.621
H9	C8	H12	117.538	C10	C8	H12	121.841

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

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

States and conformations

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