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	hartrees
Energy at 0K	-56.341744
Energy at 298.15K	-56.350699
HF Energy	-55.896884
Nuclear repulsion energy	129.394870

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3158	3082	10.71
2	A	3103	3028	29.49
3	A	3081	3007	38.97
4	A	3070	2996	7.10
5	A	3053	2980	19.87
6	A	3053	2979	2.09
7	A	2991	2920	19.65
8	A	2973	2901	17.68
9	A	1521	1485	5.50
10	A	1514	1478	11.28
11	A	1508	1471	2.72
12	A	1498	1462	0.31
13	A	1455	1420	6.13
14	A	1421	1387	16.88
15	A	1369	1336	7.63
16	A	1338	1305	11.77
17	A	1305	1274	8.43
18	A	1305	1273	41.41
19	A	1189	1160	7.90
20	A	1134	1106	0.40
21	A	1128	1101	7.12
22	A	1077	1051	2.07
23	A	1038	1013	10.43
24	A	982	959	1.43
25	A	917	895	6.90
26	A	793	774	5.22
27	A	714	697	29.15
28	A	587	573	25.79
29	A	423	413	2.10
30	A	392	382	6.90
31	A	327	319	3.52
32	A	238	232	0.73
33	A	226	221	0.04
34	A	144	141	3.24
35	A	107	104	1.03
36	A	66	65	4.38

Atom	x (Å)	y (Å)	z (Å)
C1	2.210	-1.103	-0.077
H2	2.240	-1.171	-1.176
H3	3.194	-0.766	0.282
H4	2.003	-2.106	0.339
C5	1.094	-0.130	0.374
H6	1.077	-0.015	1.469
Cl7	1.544	1.630	-0.250
C8	-0.311	-0.512	-0.165
H9	-0.501	-1.561	0.129
H10	-0.308	-0.457	-1.266
C11	-1.443	0.382	0.399
H12	-1.509	0.319	1.494
H13	-1.359	1.421	0.064
Cl14	-3.120	-0.232	-0.244

	C1	H2	H3	H4	C5	H6	Cl7	C8	H9	H10	C11	H12	H13	Cl14
C1		1.1016	1.1002	1.1047	1.5484	2.2040	2.8186	2.5913	2.7567	2.8587	3.9719	4.2799	4.3732	5.4037
H2	1.1016		1.7889	1.7959	2.1912	3.1121	3.0308	2.8222	3.0602	2.6474	4.2960	4.8373	4.6047	5.5211
H3	1.1002	1.7889		1.7927	2.1966	2.5407	2.9580	3.5429	3.7822	3.8414	4.7785	4.9760	5.0555	6.3588
H4	1.1047	1.7959	1.7927		2.1757	2.5504	3.8097	2.8553	2.5714	3.2615	4.2508	4.4213	4.8801	5.4869
C5	1.5484	2.1912	2.1966	2.1757		1.1011	1.9207	1.5530	2.1568	2.1825	2.5880	2.8683	2.9179	4.2605
H6	2.2040	3.1121	2.5407	2.5504	1.1011		2.4257	2.2012	2.5836	3.0978	2.7665	2.6071	3.1574	4.5387
Cl7	2.8186	3.0308	2.9580	3.8097	1.9207	2.4257		2.8351	3.8088	2.9695	3.3021	3.7523	2.9271	5.0223
C8	2.5913	2.8222	3.5429	2.8553	1.5530	2.2012	2.8351		1.1056	1.1025	1.5484	2.2083	2.2101	2.8241
H9	2.7567	3.0602	3.7822	2.5714	2.1568	2.5836	3.8088	1.1056		1.7890	2.1759	2.5327	3.1033	2.9611
H10	2.8587	2.6474	3.8414	3.2615	2.1825	3.0978	2.9695	1.1025	1.7890		2.1831	3.1085	2.5300	3.0009
C11	3.9719	4.2960	4.7785	4.2508	2.5880	2.7665	3.3021	1.5484	2.1759	2.1831		1.0984	1.0952	1.8982
H12	4.2799	4.8373	4.9760	4.4213	2.8683	2.6071	3.7523	2.2083	2.5327	3.1085	1.0984		1.8112	2.4336
H13	4.3732	4.6047	5.0555	4.8801	2.9179	3.1574	2.9271	2.2101	3.1033	2.5300	1.0952	1.8112		2.4351
Cl14	5.4037	5.5211	6.3588	5.4869	4.2605	4.5387	5.0223	2.8241	2.9611	3.0009	1.8982	2.4336	2.4351

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.464	C1	C5	Cl7	108.202
C1	C5	C8	113.343	H2	C1	H3	108.669
H2	C1	H4	108.966	H2	C1	C5	110.418
H3	C1	H4	108.783	H3	C1	C5	110.927
H4	C1	C5	109.038	C5	C8	H9	107.236
C5	C8	H10	109.382	C5	C8	C11	113.120
H6	C5	Cl7	103.427	H6	C5	C8	110.919
Cl7	C5	C8	108.946	C8	C11	H12	111.964
C8	C11	H13	112.309	C8	C11	Cl14	109.626
H9	C8	H10	108.234	H9	C8	C11	108.994
H10	C8	C11	109.737	H12	C11	H13	111.307
H12	C11	Cl14	105.475	H13	C11	Cl14	105.728

All results from a given calculation for C₄H₈Cl₂ (Butane, 1,3-dichloro-)

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 C4H8Cl2 (Butane, 1,3-dichloro-)

using model chemistry: MP2/CEP-121G

States and conformations

All results from a given calculation for C₄H₈Cl₂ (Butane, 1,3-dichloro-)