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	hartrees
Energy at 0K	-617.078975
Energy at 298.15K	-617.089013
HF Energy	-616.255798
Nuclear repulsion energy	234.604846

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3190	3021	16.46
2	A	3189	3020	19.29
3	A	3174	3006	20.86
4	A	3169	3002	26.91
5	A	3137	2971	15.57
6	A	3120	2955	2.40
7	A	3085	2922	17.38
8	A	3084	2921	28.05
9	A	3076	2913	12.26
10	A	1546	1465	10.18
11	A	1538	1457	12.85
12	A	1534	1453	2.79
13	A	1526	1445	10.12
14	A	1512	1432	1.57
15	A	1452	1376	10.30
16	A	1449	1372	8.50
17	A	1422	1347	0.83
18	A	1371	1298	26.01
19	A	1342	1271	0.22
20	A	1308	1239	8.16
21	A	1213	1149	4.65
22	A	1166	1104	1.41
23	A	1131	1071	5.22
24	A	1075	1018	1.60
25	A	1033	978	10.02
26	A	995	942	6.32
27	A	885	838	9.44
28	A	816	773	9.89
29	A	663	628	15.33
30	A	472	447	1.08
31	A	403	381	1.29
32	A	340	322	0.66
33	A	266	252	0.16
34	A	240	228	0.07
35	A	228	216	0.60
36	A	112	106	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	-1.339	1.442	-0.005
H2	-1.513	1.443	-1.083
H3	-2.282	1.216	0.494
H4	-1.017	2.443	0.298
C5	-0.270	0.429	0.358
H6	-0.123	0.406	1.441
Cl7	-0.861	-1.218	-0.070
C8	1.058	0.696	-0.333
H9	1.318	1.743	-0.131
H10	0.910	0.608	-1.414
C11	2.197	-0.208	0.123
H12	2.358	-0.119	1.201
H13	1.984	-1.254	-0.102
H14	3.129	0.062	-0.378

	C1	H2	H3	H4	C5	H6	Cl7	C8	H9	H10	C11	H12	H13	H14
C1		1.0920	1.0909	1.0937	1.5170	2.1550	2.7037	2.5321	2.6771	2.7822	3.9044	4.1909	4.2808	4.6912
H2	1.0920		1.7699	1.7756	2.1559	3.0624	2.9211	2.7801	3.0015	2.5837	4.2356	4.7582	4.5239	4.8935
H3	1.0909	1.7699		1.7731	2.1648	2.4927	2.8740	3.4803	3.6919	3.7685	4.7146	4.8802	4.9657	5.6010
H4	1.0937	1.7756	1.7731		2.1485	2.5009	3.6823	2.7849	2.4755	3.1645	4.1701	4.3328	4.7787	4.8285
C5	1.5170	2.1559	2.1648	2.1485		1.0935	1.8014	1.5206	2.1177	2.1363	2.5586	2.8141	2.8506	3.4968
H6	2.1550	3.0624	2.4927	2.5009	1.0935		2.3372	2.1511	2.5169	3.0432	2.7381	2.5479	3.0947	3.7421
Cl7	2.7037	2.9211	2.8740	3.6823	1.8014	2.3372		2.7235	3.6764	2.8770	3.2258	3.6311	2.8456	4.2015
C8	2.5321	2.7801	3.4803	2.7849	1.5206	2.1511	2.7235		1.0967	1.0951	1.5240	2.1697	2.1715	2.1660
H9	2.6771	3.0015	3.6919	2.4755	2.1177	2.5169	3.6764	1.0967		1.7612	2.1546	2.5141	3.0700	2.4826
H10	2.7822	2.5837	3.7685	3.1645	2.1363	3.0432	2.8770	1.0951	1.7612		2.1645	3.0764	2.5186	2.5090
C11	3.9044	4.2356	4.7146	4.1701	2.5586	2.7381	3.2258	1.5240	2.1546	2.1645		1.0934	1.0906	1.0922
H12	4.1909	4.7582	4.8802	4.3328	2.8141	2.5479	3.6311	2.1697	2.5141	3.0764	1.0934		1.7676	1.7659
H13	4.2808	4.5239	4.9657	4.7787	2.8506	3.0947	2.8456	2.1715	3.0700	2.5186	1.0906	1.7676		1.7662
H14	4.6912	4.8935	5.6010	4.8285	3.4968	3.7421	4.2015	2.1660	2.4826	2.5090	1.0922	1.7659	1.7662

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.231	C1	C5	Cl7	108.824
C1	C5	C8	112.939	H2	C1	H3	108.350
H2	C1	H4	108.655	H2	C1	C5	110.390
H3	C1	H4	108.511	H3	C1	C5	111.171
H4	C1	C5	109.701	C5	C8	H9	106.901
C5	C8	H10	108.418	C5	C8	C11	114.355
H6	C5	Cl7	105.027	H6	C5	C8	109.670
Cl7	C5	C8	109.846	C8	C11	H12	110.904
C8	C11	H13	111.228	C8	C11	H14	110.689
H9	C8	H10	106.942	H9	C8	C11	109.519
H10	C8	C11	110.395	H12	C11	H13	108.064
H12	C11	H14	107.799	H13	C11	H14	108.024

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

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

States and conformations

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