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	hartrees
Energy at 0K	-615.870527
Energy at 298.15K	-615.877872
HF Energy	-615.060652
Nuclear repulsion energy	212.781183

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3311	3136	1.71
2	A'	3209	3039	0.12
3	A'	3179	3011	19.83
4	A'	3089	2925	19.33
5	A'	3084	2921	9.86
6	A'	1700	1610	33.62
7	A'	1549	1467	6.54
8	A'	1513	1433	9.10
9	A'	1456	1379	4.99
10	A'	1439	1363	4.69
11	A'	1403	1329	10.72
12	A'	1183	1120	59.72
13	A'	1104	1045	2.52
14	A'	1048	992	3.34
15	A'	901	853	8.20
16	A'	706	669	23.70
17	A'	436	413	0.81
18	A'	370	351	2.09
19	A'	261	247	0.22
20	A"	3182	3013	23.39
21	A"	3127	2961	5.37
22	A"	1541	1459	10.66
23	A"	1322	1252	0.41
24	A"	1139	1078	1.42
25	A"	851	806	56.47
26	A"	818	775	0.01
27	A"	705	668	0.00
28	A"	432	409	7.96
29	A"	284	269	0.12
30	A"	97	92	0.49

Atom	x (Å)	y (Å)	z (Å)
C1	2.089	-1.147	0.000
H2	2.419	-2.187	0.000
H3	2.507	-0.663	0.885
H4	2.507	-0.663	-0.885
C5	0.567	-1.084	0.000
H6	0.167	-1.611	-0.873
H7	0.167	-1.611	0.873
C8	0.679	1.456	0.000
H9	1.762	1.450	0.000
C10	0.000	0.305	0.000
Cl11	-1.747	0.335	0.000
H12	0.172	2.412	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	H9	C10	Cl11	H12
C1		1.0918	1.0918	1.0918	1.5234	2.1619	2.1619	2.9595	2.6175	2.5436	4.1125	4.0420
H2	1.0918		1.7648	1.7648	2.1557	2.4833	2.4833	4.0370	3.6966	3.4730	4.8703	5.1188
H3	1.0918	1.7648		1.7709	2.1736	3.0769	2.5248	2.9349	2.4097	2.8292	4.4584	3.9614
H4	1.0918	1.7648	1.7709		2.1736	2.5248	3.0769	2.9349	2.4097	2.8292	4.4584	3.9614
C5	1.5234	2.1557	2.1736	2.1736		1.0957	1.0957	2.5423	2.8022	1.5003	2.7147	3.5184
H6	2.1619	2.4833	3.0769	2.5248	1.0957		1.7466	3.2297	3.5610	2.1124	2.8662	4.1168
H7	2.1619	2.4833	2.5248	3.0769	1.0957	1.7466		3.2297	3.5610	2.1124	2.8662	4.1168
C8	2.9595	4.0370	2.9349	2.9349	2.5423	3.2297	3.2297		1.0825	1.3362	2.6727	1.0826
H9	2.6175	3.6966	2.4097	2.4097	2.8022	3.5610	3.5610	1.0825		2.1013	3.6819	1.8581
C10	2.5436	3.4730	2.8292	2.8292	1.5003	2.1124	2.1124	1.3362	2.1013		1.7477	2.1139
Cl11	4.1125	4.8703	4.4584	4.4584	2.7147	2.8662	2.8662	2.6727	3.6819	1.7477		2.8276
H12	4.0420	5.1188	3.9614	3.9614	3.5184	4.1168	4.1168	1.0826	1.8581	2.1139	2.8276

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.191	C1	C5	H7	110.191
C1	C5	C10	114.536	H2	C1	H3	107.837
H2	C1	H4	107.837	H2	C1	C5	109.932
H3	C1	H4	108.384	H3	C1	C5	111.358
H4	C1	C5	111.358	C5	C10	C8	127.260
C5	C10	Cl11	113.185	H6	C5	H7	105.699
H6	C5	C10	107.907	H7	C5	C10	107.907
C8	C10	Cl11	119.555	H9	C8	C10	120.273
H9	C8	H12	118.231	C10	C8	H12	121.497

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

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

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