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	hartrees
Energy at 0K	-42.214308
Energy at 298.15K	-42.224123
HF Energy	-41.808732
Nuclear repulsion energy	102.706935

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3099	3025	35.96
2	A	3092	3017	38.39
3	A	3076	3003	47.62
4	A	3070	2996	43.01
5	A	3055	2982	4.89
6	A	3034	2961	3.38
7	A	2973	2901	22.54
8	A	2970	2898	47.74
9	A	2963	2892	24.59
10	A	1533	1496	7.75
11	A	1524	1487	9.07
12	A	1520	1484	4.29
13	A	1512	1476	7.64
14	A	1498	1462	1.51
15	A	1453	1418	8.70
16	A	1452	1417	5.31
17	A	1413	1379	1.52
18	A	1339	1307	4.19
19	A	1331	1299	25.26
20	A	1280	1249	13.30
21	A	1205	1176	6.55
22	A	1147	1119	1.99
23	A	1107	1080	2.26
24	A	1039	1015	0.27
25	A	1021	997	7.76
26	A	980	957	5.84
27	A	849	828	8.48
28	A	802	782	9.44
29	A	580	566	22.16
30	A	450	440	1.51
31	A	370	361	2.46
32	A	317	310	1.26
33	A	237	231	0.44
34	A	227	221	0.11
35	A	207	202	1.10
36	A	103	100	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	-1.297	1.553	-0.002
H2	-1.467	1.565	-1.090
H3	-2.254	1.351	0.502
H4	-0.933	2.547	0.315
C5	-0.236	0.487	0.368
H6	-0.084	0.430	1.457
Cl7	-0.958	-1.241	-0.068
C8	1.121	0.666	-0.364
H9	1.429	1.718	-0.199
H10	0.959	0.530	-1.448
C11	2.250	-0.287	0.137
H12	2.437	-0.134	1.215
H13	1.972	-1.341	-0.023
H14	3.190	-0.089	-0.405

	C1	H2	H3	H4	C5	H6	Cl7	C8	H9	H10	C11	H12	H13	H14
C1		1.1020	1.1005	1.1051	1.5488	2.2045	2.8147	2.6006	2.7379	2.8685	3.9980	4.2735	4.3657	4.7941
H2	1.1020		1.7887	1.7959	2.1920	3.1130	3.0289	2.8341	3.0339	2.6617	4.3303	4.8412	4.6270	4.9886
H3	1.1005	1.7887		1.7925	2.1998	2.5441	2.9529	3.5513	3.7675	3.8473	4.8067	4.9717	5.0381	5.7034
H4	1.1051	1.7959	1.7925		2.1755	2.5506	3.8071	2.8664	2.5553	3.2799	4.2654	4.3988	4.8648	4.9455
C5	1.5488	2.1920	2.1998	2.1755		1.1013	1.9226	1.5522	2.1469	2.1745	2.6136	2.8711	2.8927	3.5582
H6	2.2045	3.1130	2.5441	2.5506	1.1013		2.4256	2.1968	2.5867	3.0888	2.7756	2.5940	3.0910	3.8015
Cl7	2.8147	3.0289	2.9529	3.8071	1.9226	2.4256		2.8369	3.8039	2.9520	3.3529	3.7939	2.9324	4.3177
C8	2.6006	2.8341	3.5513	2.8664	1.5522	2.1968	2.8369		1.1082	1.1047	1.5605	2.2058	2.2067	2.2023
H9	2.7379	3.0339	3.7675	2.5553	2.1469	2.5867	3.8039	1.1082		1.7872	2.1928	2.5388	3.1116	2.5310
H10	2.8685	2.6617	3.8473	3.2799	2.1745	3.0888	2.9520	1.1047	1.7872		2.2018	3.1173	2.5608	2.5389
C11	3.9980	4.3303	4.8067	4.2654	2.6136	2.7756	3.3529	1.5605	2.1928	2.2018		1.1046	1.1010	1.1028
H12	4.2735	4.8412	4.9717	4.3988	2.8711	2.5940	3.7939	2.2058	2.5388	3.1173	1.1046		1.7898	1.7871
H13	4.3657	4.6270	5.0381	4.8648	2.8927	3.0910	2.9324	2.2067	3.1116	2.5608	1.1010	1.7898		1.7875
H14	4.7941	4.9886	5.7034	4.9455	3.5582	3.8015	4.3177	2.2023	2.5310	2.5389	1.1028	1.7871	1.7875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.464	C1	C5	Cl7	107.870
C1	C5	C8	113.991	H2	C1	H3	108.610
H2	C1	H4	108.923	H2	C1	C5	110.431
H3	C1	H4	108.725	H3	C1	C5	111.136
H4	C1	C5	108.970	C5	C8	H9	106.401
C5	C8	H10	108.687	C5	C8	C11	114.202
H6	C5	Cl7	103.303	H6	C5	C8	110.612
Cl7	C5	C8	108.985	C8	C11	H12	110.551
C8	C11	H13	110.833	C8	C11	H14	110.381
H9	C8	H10	107.731	H9	C8	C11	109.333
H10	C8	C11	110.236	H12	C11	H13	108.477
H12	C11	H14	108.113	H13	C11	H14	108.402

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-)