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	hartrees
Energy at 0K	-41.305024
Energy at 298.15K	-41.312233
HF Energy	-40.683930
Nuclear repulsion energy	90.995524

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3310	3143	5.17
2	A'	3213	3050	1.32
3	A'	3189	3028	29.09
4	A'	3098	2942	15.63
5	A'	3092	2935	25.27
6	A'	1699	1613	31.33
7	A'	1536	1458	4.27
8	A'	1504	1428	5.40
9	A'	1450	1377	2.26
10	A'	1434	1362	2.87
11	A'	1394	1324	10.93
12	A'	1164	1105	60.04
13	A'	1098	1043	5.06
14	A'	1034	981	6.26
15	A'	891	846	6.06
16	A'	695	660	25.66
17	A'	420	398	0.90
18	A'	360	341	2.39
19	A'	254	241	0.37
20	A"	3198	3036	40.58
21	A"	3158	2998	7.57
22	A"	1528	1451	7.82
23	A"	1311	1245	0.29
24	A"	1129	1072	2.09
25	A"	815	774	1.65
26	A"	778	739	74.50
27	A"	692	657	0.84
28	A"	418	397	5.90
29	A"	282	267	0.08
30	A"	93	88	0.40

Atom	x (Å)	y (Å)	z (Å)
C1	2.106	-1.169	0.000
H2	2.435	-2.223	0.000
H3	2.525	-0.679	0.896
H4	2.525	-0.679	-0.896
C5	0.564	-1.112	0.000
H6	0.163	-1.637	-0.886
H7	0.163	-1.637	0.886
C8	0.701	1.478	0.000
H9	1.794	1.460	0.000
C10	0.000	0.301	0.000
Cl11	-1.766	0.351	0.000
H12	0.192	2.445	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	H9	C10	Cl11	H12
C1		1.1044	1.1036	1.1036	1.5435	2.1870	2.1870	2.9963	2.6472	2.5685	4.1601	4.0895
H2	1.1044		1.7875	1.7875	2.1761	2.5083	2.5083	4.0868	3.7385	3.5072	4.9269	5.1791
H3	1.1036	1.7875		1.7922	2.1992	3.1105	2.5494	2.9633	2.4318	2.8531	4.5033	4.0009
H4	1.1036	1.7875	1.7922		2.1992	2.5494	3.1105	2.9633	2.4318	2.8531	4.5033	4.0009
C5	1.5435	2.1761	2.1992	2.1992		1.1055	1.1055	2.5933	2.8510	1.5213	2.7512	3.5763
H6	2.1870	2.5083	3.1105	2.5494	1.1055		1.7720	3.2831	3.6111	2.1374	2.9082	4.1773
H7	2.1870	2.5083	2.5494	3.1105	1.1055	1.7720		3.2831	3.6111	2.1374	2.9082	4.1773
C8	2.9963	4.0868	2.9633	2.9633	2.5933	3.2831	3.2831		1.0928	1.3699	2.7130	1.0932
H9	2.6472	3.7385	2.4318	2.4318	2.8510	3.6111	3.6111	1.0928		2.1359	3.7292	1.8808
C10	2.5685	3.5072	2.8531	2.8531	1.5213	2.1374	2.1374	1.3699	2.1359		1.7670	2.1524
Cl11	4.1601	4.9269	4.5033	4.5033	2.7512	2.9082	2.9082	2.7130	3.7292	1.7670		2.8671
H12	4.0895	5.1791	4.0009	4.0009	3.5763	4.1773	4.1773	1.0932	1.8808	2.1524	2.8671

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.198	C1	C5	H7	110.198
C1	C5	C10	113.867	H2	C1	H3	108.101
H2	C1	H4	108.101	H2	C1	C5	109.414
H3	C1	H4	108.574	H3	C1	C5	111.273
H4	C1	C5	111.273	C5	C10	C8	127.443
C5	C10	Cl11	113.365	H6	C5	H7	106.543
H6	C5	C10	107.868	H7	C5	C10	107.868
C8	C10	Cl11	119.192	H9	C8	C10	119.868
H9	C8	H12	118.719	C10	C8	H12	121.413

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

using model chemistry: MP2/CEP-31G*

States and conformations

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