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	hartrees
Energy at 0K	-1076.314539
Energy at 298.15K	-1076.323658
Nuclear repulsion energy	371.492724

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3192	3031	0.00
2	A_g	3180	3019	0.00
3	A_g	3117	2960	0.00
4	A_g	3087	2931	0.00
5	A_g	1508	1432	0.00
6	A_g	1505	1429	0.00
7	A_g	1413	1342	0.00
8	A_g	1389	1319	0.00
9	A_g	1287	1222	0.00
10	A_g	1194	1134	0.00
11	A_g	1159	1100	0.00
12	A_g	1043	990	0.00
13	A_g	874	830	0.00
14	A_g	733	696	0.00
15	A_g	482	458	0.00
16	A_g	350	333	0.00
17	A_g	290	275	0.00
18	A_g	235	223	0.00
19	A_u	3193	3031	10.77
20	A_u	3180	3019	19.47
21	A_u	3133	2974	7.92
22	A_u	3086	2931	14.97
23	A_u	1508	1432	19.90
24	A_u	1501	1426	6.65
25	A_u	1412	1341	20.56
26	A_u	1323	1257	3.86
27	A_u	1232	1170	30.54
28	A_u	1108	1053	5.43
29	A_u	1035	983	32.37
30	A_u	985	935	9.88
31	A_u	702	666	54.82
32	A_u	360	342	2.41
33	A_u	333	316	2.11
34	A_u	252	239	2.58
35	A_u	205	194	2.58
36	A_u	69	66	2.53

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.944	1.173	-1.547
Cl2	0.944	-1.173	1.547
C3	-1.862	-0.436	0.406
C4	1.862	0.436	-0.406
C5	-0.648	0.397	0.052
C6	0.648	-0.397	-0.052
H7	-2.756	0.182	0.388
H8	2.756	-0.182	-0.388
H9	1.747	0.865	-1.398
H10	-1.747	-0.865	1.398
H11	-1.986	-1.242	-0.316
H12	1.986	1.242	0.316
H13	0.509	-1.214	-0.758
H14	-0.509	1.214	0.758

	Cl1	Cl2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
Cl1		4.3176	2.6921	3.1175	1.8020	2.6897	2.8308	4.1074	2.7127	3.6705	2.9043	3.4724	2.9034	2.3465
Cl2	4.3176		3.1175	2.6921	2.6897	1.8020	4.1074	2.8308	3.6705	2.7127	3.4724	2.9043	2.3465	2.9034
C3	2.6921	3.1175		3.9104	1.5139	2.5524	1.0870	4.6933	4.2397	1.0869	1.0890	4.1989	2.7536	2.1629
C4	3.1175	2.6921	3.9104		2.5524	1.5139	4.6933	1.0870	1.0869	4.2397	4.1989	1.0890	2.1629	2.7536
C5	1.8020	2.6897	1.5139	2.5524		1.5239	2.1454	3.4816	2.8393	2.1472	2.1469	2.7791	2.1424	1.0891
C6	2.6897	1.8020	2.5524	1.5139	1.5239		3.4816	2.1454	2.1472	2.8393	2.7791	2.1469	1.0891	2.1424
H7	2.8308	4.1074	1.0870	4.6933	2.1454	3.4816		5.5792	4.8929	1.7702	1.7653	4.8599	3.7314	2.5010
H8	4.1074	2.8308	4.6933	1.0870	3.4816	2.1454	5.5792		1.7702	4.8929	4.8599	1.7653	2.5010	3.7314
H9	2.7127	3.6705	4.2397	1.0869	2.8393	2.1472	4.8929	1.7702		4.7981	4.4211	1.7711	2.5028	3.1403
H10	3.6705	2.7127	1.0869	4.2397	2.1472	2.8393	1.7702	4.8929	4.7981		1.7711	4.4211	3.1403	2.5028
H11	2.9043	3.4724	1.0890	4.1989	2.1469	2.7791	1.7653	4.8599	4.4211	1.7711		4.7269	2.5337	3.0606
H12	3.4724	2.9043	4.1989	1.0890	2.7791	2.1469	4.8599	1.7653	1.7711	4.4211	4.7269		3.0606	2.5337
H13	2.9034	2.3465	2.7536	2.1629	2.1424	1.0891	3.7314	2.5010	2.5028	3.1403	2.5337	3.0606		3.0380
H14	2.3465	2.9034	2.1629	2.7536	1.0891	2.1424	2.5010	3.7314	3.1403	2.5028	3.0606	2.5337	3.0380

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C5	C3	108.245	Cl1	C5	C6	107.647
Cl1	C5	H14	105.857	Cl2	C6	C4	108.245
Cl2	C6	C5	107.647	Cl2	C6	H13	105.857
C3	C5	C6	114.325	C3	C5	H14	111.342
C4	C6	C5	114.325	C4	C6	H13	111.342
C5	C3	H7	110.071	C5	C3	H10	110.219
C5	C3	H11	110.070	C5	C6	H13	109.013
C6	C4	H8	110.071	C6	C4	H9	110.219
C6	C4	H12	110.070	C6	C5	H14	109.013
H7	C3	H10	109.041	H7	C3	H11	108.437
H8	C4	H9	109.041	H8	C4	H12	108.437
H9	C4	H12	108.966	H10	C3	H11	108.966

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

using model chemistry: MP2/cc-pVTZ

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/cc-pVTZ

States and conformations

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