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	hartrees
Energy at 0K	-1075.932200
Energy at 298.15K	-1075.941446
HF Energy	-1075.102480
Nuclear repulsion energy	370.644510

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3229	3042	0.00
2	A_g	3216	3030	0.00
3	A_g	3151	2969	0.00
4	A_g	3123	2943	0.00
5	A_g	1558	1468	0.00
6	A_g	1554	1464	0.00
7	A_g	1473	1388	0.00
8	A_g	1437	1354	0.00
9	A_g	1351	1273	0.00
10	A_g	1229	1158	0.00
11	A_g	1187	1118	0.00
12	A_g	1080	1017	0.00
13	A_g	895	844	0.00
14	A_g	755	711	0.00
15	A_g	497	468	0.00
16	A_g	365	344	0.00
17	A_g	300	283	0.00
18	A_g	246	232	0.00
19	A_u	3230	3043	10.82
20	A_u	3217	3031	20.67
21	A_u	3165	2982	9.99
22	A_u	3123	2942	13.11
23	A_u	1559	1469	21.06
24	A_u	1550	1461	8.64
25	A_u	1473	1388	22.77
26	A_u	1368	1289	5.98
27	A_u	1289	1215	35.25
28	A_u	1137	1072	9.56
29	A_u	1066	1004	29.86
30	A_u	1014	955	11.46
31	A_u	715	673	57.87
32	A_u	377	355	2.56
33	A_u	347	327	2.25
34	A_u	266	251	3.03
35	A_u	212	200	2.50
36	A_u	73	69	3.04

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.949	1.177	-1.547
Cl2	0.949	-1.177	1.547
C3	-1.869	-0.438	0.406
C4	1.869	0.438	-0.406
C5	-0.652	0.395	0.049
C6	0.652	-0.395	-0.049
H7	-2.766	0.184	0.387
H8	2.766	-0.184	-0.387
H9	1.758	0.863	-1.404
H10	-1.758	-0.863	1.404
H11	-1.997	-1.251	-0.314
H12	1.997	1.251	0.314
H13	0.517	-1.212	-0.763
H14	-0.517	1.212	0.763

	Cl1	Cl2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
Cl1		4.3262	2.6954	3.1291	1.8017	2.6977	2.8323	4.1231	2.7295	3.6773	2.9176	3.4853	2.9102	2.3499
Cl2	4.3262		3.1291	2.6954	2.6977	1.8017	4.1231	2.8323	3.6773	2.7295	3.4853	2.9176	2.3499	2.9102
C3	2.6954	3.1291		3.9239	1.5173	2.5616	1.0914	4.7086	4.2572	1.0908	1.0930	4.2196	2.7668	2.1626
C4	3.1291	2.6954	3.9239		2.5616	1.5173	4.7086	1.0914	1.0908	4.2572	4.2196	1.0930	2.1626	2.7668
C5	1.8017	2.6977	1.5173	2.5616		1.5268	2.1511	3.4932	2.8526	2.1547	2.1560	2.7962	2.1455	1.0935
C6	2.6977	1.8017	2.5616	1.5173	1.5268		3.4932	2.1511	2.1547	2.8526	2.7962	2.1560	1.0935	2.1455
H7	2.8323	4.1231	1.0914	4.7086	2.1511	3.4932		5.5971	4.9124	1.7739	1.7721	4.8811	3.7474	2.5009
H8	4.1231	2.8323	4.7086	1.0914	3.4932	2.1511	5.5971		1.7739	4.9124	4.8811	1.7721	2.5009	3.7474
H9	2.7295	3.6773	4.2572	1.0908	2.8526	2.1547	4.9124	1.7739		4.8197	4.4450	1.7772	2.5012	3.1611
H10	3.6773	2.7295	1.0908	4.2572	2.1547	2.8526	1.7739	4.9124	4.8197		1.7772	4.4450	3.1611	2.5012
H11	2.9176	3.4853	1.0930	4.2196	2.1560	2.7962	1.7721	4.8811	4.4450	1.7772		4.7542	2.5538	3.0681
H12	3.4853	2.9176	4.2196	1.0930	2.7962	2.1560	4.8811	1.7721	1.7772	4.4450	4.7542		3.0681	2.5538
H13	2.9102	2.3499	2.7668	2.1626	2.1455	1.0935	3.7474	2.5009	2.5012	3.1611	2.5538	3.0681		3.0442
H14	2.3499	2.9102	2.1626	2.7668	1.0935	2.1455	2.5009	3.7474	3.1611	2.5012	3.0681	2.5538	3.0442

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C5	C3	108.306	Cl1	C5	C6	108.005
Cl1	C5	H14	105.913	Cl2	C6	C4	108.306
Cl2	C6	C5	108.005	Cl2	C6	H13	105.913
C3	C5	C6	114.602	C3	C5	H14	110.811
C4	C6	C5	114.602	C4	C6	H13	110.811
C5	C3	H7	110.017	C5	C3	H10	110.346
C5	C3	H11	110.313	C5	C6	H13	108.808
C6	C4	H8	110.017	C6	C4	H9	110.346
C6	C4	H12	110.313	C6	C5	H14	108.808
H7	C3	H10	108.755	H7	C3	H11	108.429
H8	C4	H9	108.755	H8	C4	H12	108.429
H9	C4	H12	108.935	H10	C3	H11	108.935

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

using model chemistry: MP2=FULL/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=FULL/6-31G*

States and conformations

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