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	hartrees
Energy at 0K	-56.752994
Energy at 298.15K	-56.762108
HF Energy	-55.991207
Nuclear repulsion energy	133.873535

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3231	3067	7.84
2	A	3202	3040	28.64
3	A	3185	3024	40.40
4	A	3172	3012	6.70
5	A	3157	2998	6.23
6	A	3141	2982	11.42
7	A	3103	2946	17.30
8	A	3090	2934	29.24
9	A	1533	1456	9.27
10	A	1525	1448	8.59
11	A	1511	1434	3.11
12	A	1506	1430	4.74
13	A	1450	1376	2.77
14	A	1430	1358	1.33
15	A	1372	1303	4.83
16	A	1353	1284	7.36
17	A	1325	1258	7.51
18	A	1272	1208	14.39
19	A	1235	1172	11.25
20	A	1163	1104	0.81
21	A	1125	1068	1.53
22	A	1097	1042	3.32
23	A	1068	1014	0.91
24	A	968	919	10.08
25	A	869	825	9.55
26	A	834	792	4.76
27	A	785	746	55.25
28	A	700	665	22.89
29	A	465	442	1.88
30	A	391	371	0.94
31	A	302	286	0.02
32	A	238	226	1.19
33	A	224	213	2.24
34	A	187	177	3.52
35	A	121	115	3.81
36	A	90	85	1.20

Atom	x (Å)	y (Å)	z (Å)
H1	-0.848	-0.532	1.513
H2	1.905	1.399	-0.248
H3	1.456	0.637	1.323
C4	1.438	0.525	0.228
H5	0.006	0.164	-1.370
Cl6	-0.829	1.934	-0.029
C7	-0.003	0.333	-0.280
C8	-0.777	-0.785	0.439
H9	-2.822	-0.138	-0.045
H10	-2.670	-1.875	0.359
H11	-2.111	-1.275	-1.231
C12	-2.181	-1.029	-0.156
H13	-0.174	-1.706	0.346
Cl14	2.450	-0.912	-0.195

	H1	H2	H3	C4	H5	Cl6	C7	C8	H9	H10	H11	C12	H13	Cl14
H1		3.7964	2.5904	2.8276	3.0863	2.9086	2.1622	1.1056	2.5455	2.5404	3.1108	2.1931	1.7869	3.7331
H2	3.7964		1.8034	1.0998	2.5281	2.7946	2.1863	3.5269	4.9750	5.6585	4.9243	4.7543	3.7845	2.3753
H3	2.5904	1.8034		1.1012	3.0949	2.9547	2.1883	2.7910	4.5575	4.9253	4.7856	4.2650	3.0168	2.3860
C4	2.8276	1.0998	1.1012		2.1758	2.6816	1.5398	2.5822	4.3199	4.7592	4.2385	3.9574	2.7553	1.8075
H5	3.0863	2.5281	3.0949	2.1758		2.3718	1.1033	2.1877	3.1371	3.7820	2.5636	2.7712	2.5451	2.9173
Cl6	2.9086	2.7946	2.9547	2.6816	2.3718		1.8191	2.7591	2.8749	4.2477	3.6587	3.2591	3.7174	4.3447
C7	2.1622	2.1863	2.1883	1.5398	1.1033	1.8191		1.5377	2.8676	3.5202	2.8168	2.5717	2.1396	2.7515
C8	1.1056	3.5269	2.7910	2.5822	2.1877	2.7591	1.5377		2.1983	2.1853	2.1928	1.5442	1.1050	3.2910
H9	2.5455	4.9750	4.5575	4.3199	3.1371	2.8749	2.8676	2.1983		1.7892	1.7901	1.1027	3.1019	5.3300
H10	2.5404	5.6585	4.9253	4.7592	3.7820	4.2477	3.5202	2.1853	1.7892		1.7885	1.1041	2.5012	5.2384
H11	3.1108	4.9243	4.7856	4.2385	2.5636	3.6587	2.8168	2.1928	1.7901	1.7885		1.1052	2.5348	4.6907
C12	2.1931	4.7543	4.2650	3.9574	2.7712	3.2591	2.5717	1.5442	1.1027	1.1041	1.1052		2.1769	4.6324
H13	1.7869	3.7845	3.0168	2.7553	2.5451	3.7174	2.1396	1.1050	3.1019	2.5012	2.5348	2.1769		2.7944
Cl14	3.7331	2.3753	2.3860	1.8075	2.9173	4.3447	2.7515	3.2910	5.3300	5.2384	4.6907	4.6324	2.7944

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C8	C7	108.666	H1	C8	C12	110.627
H1	C8	H13	107.860	H2	C4	H3	110.046
H2	C4	C7	110.743	H2	C4	Cl14	107.049
H3	C4	C7	110.818	H3	C4	Cl14	107.748
C4	C7	H5	109.717	C4	C7	Cl6	105.650
C4	C7	C8	114.086	H5	C7	Cl6	105.890
H5	C7	C8	110.786	Cl6	C7	C8	110.280
C7	C4	Cl14	110.321	C7	C8	C12	113.121
C7	C8	H13	106.977	C8	C12	H9	111.216
C8	C12	H10	110.108	C8	C12	H11	110.625
H9	C12	H10	108.349	H9	C12	H11	108.343
H10	C12	H11	108.106	C12	C8	H13	109.397

All results from a given calculation for C₄H₈Cl₂ (Butane, 1,2-dichloro-)

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 C4H8Cl2 (Butane, 1,2-dichloro-)

using model chemistry: MP2/CEP-31G*

States and conformations

All results from a given calculation for C₄H₈Cl₂ (Butane, 1,2-dichloro-)