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	hartrees
Energy at 0K	-1076.145381
Energy at 298.15K	-1076.154542
HF Energy	-1075.131512
Nuclear repulsion energy	371.083511

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3224	3045	0.00
2	A_g	3215	3037	0.00
3	A_g	3144	2969	0.00
4	A_g	3116	2943	0.00
5	A_g	1519	1435	0.00
6	A_g	1517	1433	0.00
7	A_g	1428	1349	0.00
8	A_g	1398	1321	0.00
9	A_g	1296	1224	0.00
10	A_g	1202	1135	0.00
11	A_g	1163	1099	0.00
12	A_g	1050	991	0.00
13	A_g	880	831	0.00
14	A_g	740	699	0.00
15	A_g	484	457	0.00
16	A_g	355	336	0.00
17	A_g	294	278	0.00
18	A_g	242	228	0.00
19	A_u	3225	3046	6.70
20	A_u	3216	3037	11.19
21	A_u	3158	2983	5.66
22	A_u	3116	2943	9.15
23	A_u	1521	1436	18.06
24	A_u	1513	1429	7.00
25	A_u	1428	1348	19.40
26	A_u	1330	1256	4.58
27	A_u	1239	1170	35.06
28	A_u	1113	1051	6.61
29	A_u	1041	984	34.86
30	A_u	989	934	10.69
31	A_u	710	671	57.92
32	A_u	365	345	2.54
33	A_u	336	317	2.12
34	A_u	258	244	2.66
35	A_u	208	196	2.63
36	A_u	73	69	2.92

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.946	1.173	-1.545
Cl2	0.946	-1.173	1.545
C3	-1.867	-0.438	0.407
C4	1.867	0.438	-0.407
C5	-0.650	0.397	0.053
C6	0.650	-0.397	-0.053
H7	-2.763	0.183	0.386
H8	2.763	-0.183	-0.386
H9	1.756	0.865	-1.403
H10	-1.756	-0.865	1.403
H11	-1.991	-1.247	-0.314
H12	1.991	1.247	0.314
H13	0.511	-1.216	-0.762
H14	-0.511	1.216	0.762

	Cl1	Cl2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
Cl1		4.3167	2.6933	3.1228	1.8011	2.6905	2.8305	4.1153	2.7232	3.6741	2.9099	3.4770	2.9065	2.3476
Cl2	4.3167		3.1228	2.6933	2.6905	1.8011	4.1153	2.8305	3.6741	2.7232	3.4770	2.9099	2.3476	2.9065
C3	2.6933	3.1228		3.9214	1.5181	2.5592	1.0895	4.7045	4.2544	1.0894	1.0912	4.2117	2.7622	2.1682
C4	3.1228	2.6933	3.9214		2.5592	1.5181	4.7045	1.0895	1.0894	4.2544	4.2117	1.0912	2.1682	2.7622
C5	1.8011	2.6905	1.5181	2.5592		1.5268	2.1498	3.4893	2.8506	2.1535	2.1539	2.7869	2.1483	1.0920
C6	2.6905	1.8011	2.5592	1.5181	1.5268		3.4893	2.1498	2.1535	2.8506	2.7869	2.1539	1.0920	2.1483
H7	2.8305	4.1153	1.0895	4.7045	2.1498	3.4893		5.5912	4.9076	1.7731	1.7695	4.8724	3.7409	2.5057
H8	4.1153	2.8305	4.7045	1.0895	3.4893	2.1498	5.5912		1.7731	4.9076	4.8724	1.7695	2.5057	3.7409
H9	2.7232	3.6741	4.2544	1.0894	2.8506	2.1535	4.9076	1.7731		4.8162	4.4372	1.7748	2.5082	3.1542
H10	3.6741	2.7232	1.0894	4.2544	2.1535	2.8506	1.7731	4.9076	4.8162		1.7748	4.4372	3.1542	2.5082
H11	2.9099	3.4770	1.0912	4.2117	2.1539	2.7869	1.7695	4.8724	4.4372	1.7748		4.7414	2.5425	3.0689
H12	3.4770	2.9099	4.2117	1.0912	2.7869	2.1539	4.8724	1.7695	1.7748	4.4372	4.7414		3.0689	2.5425
H13	2.9065	2.3476	2.7622	2.1682	2.1483	1.0920	3.7409	2.5057	2.5082	3.1542	2.5425	3.0689		3.0470
H14	2.3476	2.9065	2.1682	2.7622	1.0920	2.1483	2.5057	3.7409	3.1542	2.5082	3.0689	2.5425	3.0470

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C5	C3	108.171	Cl1	C5	C6	107.607
Cl1	C5	H14	105.861	Cl2	C6	C4	108.171
Cl2	C6	C5	107.607	Cl2	C6	H13	105.861
C3	C5	C6	114.381	C3	C5	H14	111.293
C4	C6	C5	114.381	C4	C6	H13	111.293
C5	C3	H7	109.973	C5	C3	H10	110.273
C5	C3	H11	110.195	C5	C6	H13	109.111
C6	C4	H8	109.973	C6	C4	H9	110.273
C6	C4	H12	110.195	C6	C5	H14	109.111
H7	C3	H10	108.932	H7	C3	H11	108.470
H8	C4	H9	108.932	H8	C4	H12	108.470
H9	C4	H12	108.957	H10	C3	H11	108.957

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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