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	hartrees
Energy at 0K	-1070.719536
Energy at 298.15K	-1070.728714
HF Energy	-1070.081806
Nuclear repulsion energy	366.292813

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3192	3036	0.00
2	A_g	3181	3026	0.00
3	A_g	3147	2993	0.00
4	A_g	3102	2951	0.00
5	A_g	1594	1517	0.00
6	A_g	1592	1514	0.00
7	A_g	1499	1426	0.00
8	A_g	1433	1363	0.00
9	A_g	1347	1282	0.00
10	A_g	1230	1170	0.00
11	A_g	1152	1096	0.00
12	A_g	1071	1019	0.00
13	A_g	860	819	0.00
14	A_g	718	683	0.00
15	A_g	490	466	0.00
16	A_g	356	338	0.00
17	A_g	292	278	0.00
18	A_g	249	236	0.00
19	A_u	3193	3037	10.76
20	A_u	3184	3029	20.85
21	A_u	3161	3007	2.86
22	A_u	3101	2950	10.96
23	A_u	1595	1517	22.29
24	A_u	1590	1512	9.25
25	A_u	1498	1425	27.30
26	A_u	1388	1320	2.14
27	A_u	1286	1224	36.82
28	A_u	1140	1085	21.63
29	A_u	1071	1019	11.80
30	A_u	995	947	17.20
31	A_u	663	631	63.73
32	A_u	371	353	3.05
33	A_u	339	323	2.13
34	A_u	260	248	2.60
35	A_u	212	202	3.34
36	A_u	74	71	3.51

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.958	1.180	-1.583
Cl2	0.958	-1.180	1.583
C3	-1.888	-0.444	0.410
C4	1.888	0.444	-0.410
C5	-0.655	0.403	0.052
C6	0.655	-0.403	-0.052
H7	-2.782	0.185	0.407
H8	2.782	-0.185	-0.407
H9	1.757	0.883	-1.402
H10	-1.757	-0.883	1.402
H11	-2.015	-1.243	-0.327
H12	2.015	1.243	0.327
H13	0.518	-1.226	-0.757
H14	-0.518	1.226	0.757

	Cl1	Cl2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
Cl1		4.3889	2.7331	3.1651	1.8352	2.7301	2.8768	4.1518	2.7375	3.7148	2.9257	3.5343	2.9410	2.3815
Cl2	4.3889		3.1651	2.7331	2.7301	1.8352	4.1518	2.8768	3.7148	2.7375	3.5343	2.9257	2.3815	2.9410
C3	2.7331	3.1651		3.9640	1.5375	2.5851	1.0934	4.7479	4.2808	1.0927	1.0944	4.2519	2.7856	2.1879
C4	3.1651	2.7331	3.9640		2.5851	1.5375	4.7479	1.0934	1.0927	4.2808	4.2519	1.0944	2.1879	2.7856
C5	1.8352	2.7301	1.5375	2.5851		1.5427	2.1673	3.5178	2.8573	2.1653	2.1681	2.8123	2.1649	1.0924
C6	2.7301	1.8352	2.5851	1.5375	1.5427		3.5178	2.1673	2.1653	2.8573	2.8123	2.1681	1.0924	2.1649
H7	2.8768	4.1518	1.0934	4.7479	2.1673	3.5178		5.6359	4.9360	1.7834	1.7795	4.9127	3.7731	2.5171
H8	4.1518	2.8768	4.7479	1.0934	3.5178	2.1673	5.6359		1.7834	4.9360	4.9127	1.7795	2.5171	3.7731
H9	2.7375	3.7148	4.2808	1.0927	2.8573	2.1653	4.9360	1.7834		4.8296	4.4605	1.7850	2.5297	3.1549
H10	3.7148	2.7375	1.0927	4.2808	2.1653	2.8573	1.7834	4.9360	4.8296		1.7850	4.4605	3.1549	2.5297
H11	2.9257	3.5343	1.0944	4.2519	2.1681	2.8123	1.7795	4.9127	4.4605	1.7850		4.7791	2.5685	3.0843
H12	3.5343	2.9257	4.2519	1.0944	2.8123	2.1681	4.9127	1.7795	1.7850	4.4605	4.7791		3.0843	2.5685
H13	2.9410	2.3815	2.7856	2.1879	2.1649	1.0924	3.7731	2.5171	2.5297	3.1549	2.5685	3.0843		3.0627
H14	2.3815	2.9410	2.1879	2.7856	1.0924	2.1649	2.5171	3.7731	3.1549	2.5297	3.0843	2.5685	3.0627

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C5	C3	107.939	Cl1	C5	C6	107.528
Cl1	C5	H14	106.079	Cl2	C6	C4	107.939
Cl2	C6	C5	107.528	Cl2	C6	H13	106.079
C3	C5	C6	114.123	C3	C5	H14	111.479
C4	C6	C5	114.123	C4	C6	H13	111.479
C5	C3	H7	109.779	C5	C3	H10	109.667
C5	C3	H11	109.782	C5	C6	H13	109.294
C6	C4	H8	109.779	C6	C4	H9	109.667
C6	C4	H12	109.782	C6	C5	H14	109.294
H7	C3	H10	109.334	H7	C3	H11	108.856
H8	C4	H9	109.334	H8	C4	H12	108.856
H9	C4	H12	109.404	H10	C3	H11	109.404

All results from a given calculation for C₄H₈Cl₂ (Butane, 2,3-dichloro-, (r,s)-)

using model chemistry: MP2/3-21G*

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, 2,3-dichloro-, (r*,s*)-)

using model chemistry: MP2/3-21G*

States and conformations

All results from a given calculation for C₄H₈Cl₂ (Butane, 2,3-dichloro-, (r,s)-)