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	hartrees
Energy at 0K	-1075.892458
Energy at 298.15K	-1075.901690
HF Energy	-1075.102515
Nuclear repulsion energy	370.319175

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3229	3045	0.00
2	A_g	3216	3032	0.00
3	A_g	3151	2972	0.00
4	A_g	3123	2945	0.00
5	A_g	1557	1468	0.00
6	A_g	1553	1465	0.00
7	A_g	1471	1387	0.00
8	A_g	1435	1353	0.00
9	A_g	1351	1274	0.00
10	A_g	1227	1157	0.00
11	A_g	1185	1118	0.00
12	A_g	1079	1017	0.00
13	A_g	894	843	0.00
14	A_g	755	712	0.00
15	A_g	496	467	0.00
16	A_g	364	343	0.00
17	A_g	299	282	0.00
18	A_g	245	231	0.00
19	A_u	3229	3045	11.02
20	A_u	3216	3033	21.04
21	A_u	3165	2985	9.98
22	A_u	3122	2944	13.31
23	A_u	1558	1469	20.62
24	A_u	1550	1461	8.66
25	A_u	1471	1387	22.12
26	A_u	1367	1289	6.36
27	A_u	1289	1215	35.29
28	A_u	1136	1071	9.75
29	A_u	1064	1004	29.70
30	A_u	1012	955	11.36
31	A_u	715	674	58.32
32	A_u	376	355	2.57
33	A_u	346	326	2.27
34	A_u	265	250	3.02
35	A_u	211	199	2.54
36	A_u	72	68	3.05

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.945	1.174	-1.552
Cl2	0.945	-1.174	1.552
C3	-1.867	-0.439	0.405
C4	1.867	0.439	-0.405
C5	-0.650	0.392	0.057
C6	0.650	-0.392	-0.057
H7	-2.761	0.187	0.391
H8	2.761	-0.187	-0.391
H9	1.753	0.869	-1.402
H10	-1.753	-0.869	1.402
H11	-1.996	-1.248	-0.318
H12	1.996	1.248	0.318
H13	0.516	-1.218	-0.759
H14	-0.516	1.218	0.759

	Cl1	Cl2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
Cl1		4.3260	2.6980	3.1250	1.8124	2.6889	2.8361	4.1158	2.7193	3.6805	2.9139	3.4864	2.9125	2.3511
Cl2	4.3260		3.1250	2.6980	2.6889	1.8124	4.1158	2.8361	3.6805	2.7193	3.4864	2.9139	2.3511	2.9125
C3	2.6980	3.1250		3.9211	1.5149	2.5595	1.0915	4.7034	4.2521	1.0915	1.0930	4.2169	2.7644	2.1676
C4	3.1250	2.6980	3.9211		2.5595	1.5149	4.7034	1.0915	1.0915	4.2521	4.2169	1.0930	2.1676	2.7644
C5	1.8124	2.6889	1.5149	2.5595		1.5219	2.1478	3.4887	2.8506	2.1485	2.1551	2.7933	2.1487	1.0927
C6	2.6889	1.8124	2.5595	1.5149	1.5219		3.4887	2.1478	2.1485	2.8506	2.7933	2.1551	1.0927	2.1487
H7	2.8361	4.1158	1.0915	4.7034	2.1478	3.4887		5.5903	4.9046	1.7763	1.7740	4.8752	3.7465	2.4985
H8	4.1158	2.8361	4.7034	1.0915	3.4887	2.1478	5.5903		1.7763	4.9046	4.8752	1.7740	2.4985	3.7465
H9	2.7193	3.6805	4.2521	1.0915	2.8506	2.1485	4.9046	1.7763		4.8133	4.4398	1.7781	2.5096	3.1526
H10	3.6805	2.7193	1.0915	4.2521	2.1485	2.8506	1.7763	4.9046	4.8133		1.7781	4.4398	3.1526	2.5096
H11	2.9139	3.4864	1.0930	4.2169	2.1551	2.7933	1.7740	4.8752	4.4398	1.7781		4.7517	2.5507	3.0718
H12	3.4864	2.9139	4.2169	1.0930	2.7933	2.1551	4.8752	1.7740	1.7781	4.4398	4.7517		3.0718	2.5507
H13	2.9125	2.3511	2.7644	2.1676	2.1487	1.0927	3.7465	2.4985	2.5096	3.1526	2.5507	3.0718		3.0506
H14	2.3511	2.9125	2.1676	2.7644	1.0927	2.1487	2.4985	3.7465	3.1526	2.5096	3.0718	2.5507	3.0506

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C5	C3	108.031	Cl1	C5	C6	107.178
Cl1	C5	H14	105.354	Cl2	C6	C4	108.031
Cl2	C6	C5	107.178	Cl2	C6	H13	105.354
C3	C5	C6	114.877	C3	C5	H14	111.429
C4	C6	C5	114.877	C4	C6	H13	111.429
C5	C3	H7	109.920	C5	C3	H10	109.979
C5	C3	H11	110.418	C5	C6	H13	109.436
C6	C4	H8	109.920	C6	C4	H9	109.979
C6	C4	H12	110.418	C6	C5	H14	109.436
H7	C3	H10	108.912	H7	C3	H11	108.602
H8	C4	H9	108.912	H8	C4	H12	108.602
H9	C4	H12	108.974	H10	C3	H11	108.974

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

using model chemistry: MP2/6-31G*

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

using model chemistry: MP2/6-31G*

States and conformations

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