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	hartrees
Energy at 0K	-42.575032
Energy at 298.15K	-42.584986
HF Energy	-41.898206
Nuclear repulsion energy	104.751834

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3183	3032	21.78
2	A	3181	3031	25.62
3	A	3164	3015	26.37
4	A	3159	3010	35.76
5	A	3129	2981	17.84
6	A	3111	2964	3.33
7	A	3068	2924	13.75
8	A	3067	2922	46.84
9	A	3060	2916	12.24
10	A	1543	1470	8.36
11	A	1534	1462	11.22
12	A	1531	1459	1.91
13	A	1524	1452	8.29
14	A	1511	1440	0.90
15	A	1449	1380	5.92
16	A	1446	1378	8.11
17	A	1421	1354	0.63
18	A	1352	1288	24.18
19	A	1337	1274	1.12
20	A	1292	1231	12.93
21	A	1207	1150	4.88
22	A	1155	1101	1.87
23	A	1116	1063	3.55
24	A	1060	1010	1.95
25	A	1019	971	7.25
26	A	981	935	4.80
27	A	874	833	10.44
28	A	805	767	8.72
29	A	652	622	17.67
30	A	464	442	1.01
31	A	397	378	1.70
32	A	333	317	1.00
33	A	259	247	0.21
34	A	233	222	0.12
35	A	224	214	0.91
36	A	107	102	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	1.770	-0.814	-0.002
H2	1.927	-0.802	-1.085
H3	2.632	-0.345	0.481
H4	1.701	-1.856	0.335
C5	0.475	-0.081	0.354
H6	0.335	-0.058	1.441
Cl7	0.644	1.665	-0.137
C8	-0.760	-0.689	-0.318
H9	-0.764	-1.757	-0.059
H10	-0.636	-0.615	-1.405
C11	-2.090	-0.051	0.112
H12	-2.214	-0.111	1.200
H13	-2.133	1.001	-0.180
H14	-2.933	-0.572	-0.354

	C1	H2	H3	H4	C5	H6	Cl7	C8	H9	H10	C11	H12	H13	H14
C1		1.0946	1.0935	1.0968	1.5295	2.1701	2.7262	2.5527	2.7045	2.7922	3.9363	4.2204	4.3082	4.7218
H2	1.0946		1.7770	1.7827	2.1668	3.0762	2.9373	2.7964	3.0341	2.5889	4.2581	4.7797	4.5332	4.9192
H3	1.0935	1.7770		1.7802	2.1761	2.5052	2.8937	3.5014	3.7173	3.7823	4.7452	4.9045	4.9952	5.6311
H4	1.0968	1.7827	1.7802		2.1568	2.5138	3.7062	2.8010	2.4986	3.1668	4.2048	4.3730	4.8093	4.8573
C5	1.5295	2.1668	2.1761	2.1568		1.0960	1.8217	1.5317	2.1252	2.1479	2.5769	2.8198	2.8741	3.5150
H6	2.1701	3.0762	2.5052	2.5138	1.0960		2.3565	2.1654	2.5191	3.0582	2.7652	2.5614	3.1372	3.7634
Cl7	2.7262	2.9373	2.8937	3.7062	1.8217	2.3565		2.7466	3.7015	2.9057	3.2375	3.6210	2.8554	4.2241
C8	2.5527	2.7964	3.5014	2.8010	1.5317	2.1654	2.7466		1.0995	1.0974	1.5365	2.1800	2.1818	2.1759
H9	2.7045	3.0341	3.7173	2.4986	2.1252	2.5191	3.7015	1.0995		1.7704	2.1678	2.5297	3.0821	2.4886
H10	2.7922	2.5889	3.7823	3.1668	2.1479	3.0582	2.9057	1.0974	1.7704		2.1767	3.0880	2.5211	2.5267
C11	3.9363	4.2581	4.7452	4.2048	2.5769	2.7652	3.2375	1.5365	2.1678	2.1767		1.0964	1.0932	1.0950
H12	4.2204	4.7797	4.9045	4.3730	2.8198	2.5614	3.6210	2.1800	2.5297	3.0880	1.0964		1.7747	1.7730
H13	4.3082	4.5332	4.9952	4.8093	2.8741	3.1372	2.8554	2.1818	3.0821	2.5211	1.0932	1.7747		1.7736
H14	4.7218	4.9192	5.6311	4.8573	3.5150	3.7634	4.2241	2.1759	2.4886	2.5267	1.0950	1.7730	1.7736

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.405	C1	C5	Cl7	108.563
C1	C5	C8	113.002	H2	C1	H3	108.611
H2	C1	H4	108.876	H2	C1	C5	110.225
H3	C1	H4	108.739	H3	C1	C5	111.033
H4	C1	C5	109.313	C5	C8	H9	106.585
C5	C8	H10	108.440	C5	C8	C11	114.253
H6	C5	Cl7	104.997	H6	C5	C8	109.881
Cl7	C5	C8	109.674	C8	C11	H12	110.679
C8	C11	H13	111.015	C8	C11	H14	110.434
H9	C8	H10	107.388	H9	C8	C11	109.537
H10	C8	C11	110.359	H12	C11	H13	108.301
H12	C11	H14	108.015	H13	C11	H14	108.299

All results from a given calculation for CH₃CHClCH₂CH₃ (Butane, 2-chloro-)

using model chemistry: MP2/CEP-121G*

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 CH3CHClCH2CH3 (Butane, 2-chloro-)

using model chemistry: MP2/CEP-121G*

States and conformations

All results from a given calculation for CH₃CHClCH₂CH₃ (Butane, 2-chloro-)