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	hartrees
Energy at 0K	-1076.020263
Energy at 298.15K	-1076.029456
HF Energy	-1075.180775
Nuclear repulsion energy	370.500895

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3200	3041	0.00
2	A_g	3187	3029	0.00
3	A_g	3128	2972	0.00
4	A_g	3094	2941	0.00
5	A_g	1535	1458	0.00
6	A_g	1526	1450	0.00
7	A_g	1452	1379	0.00
8	A_g	1416	1345	0.00
9	A_g	1338	1272	0.00
10	A_g	1213	1152	0.00
11	A_g	1173	1115	0.00
12	A_g	1067	1014	0.00
13	A_g	887	843	0.00
14	A_g	749	712	0.00
15	A_g	492	467	0.00
16	A_g	364	346	0.00
17	A_g	300	285	0.00
18	A_g	233	221	0.00
19	A_u	3201	3042	13.85
20	A_u	3188	3029	25.20
21	A_u	3142	2986	11.18
22	A_u	3094	2940	15.83
23	A_u	1535	1459	24.78
24	A_u	1522	1446	10.27
25	A_u	1451	1379	26.67
26	A_u	1344	1277	6.41
27	A_u	1284	1220	32.99
28	A_u	1125	1069	10.34
29	A_u	1054	1002	32.52
30	A_u	998	948	12.10
31	A_u	713	678	59.35
32	A_u	377	358	2.09
33	A_u	343	326	1.98
34	A_u	262	249	2.58
35	A_u	204	194	1.84
36	A_u	63	60	3.22

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.949	1.170	-1.548
Cl2	0.949	-1.170	1.548
C3	-1.870	-0.439	0.406
C4	1.870	0.439	-0.406
C5	-0.650	0.391	0.059
C6	0.650	-0.391	-0.059
H7	-2.763	0.187	0.389
H8	2.763	-0.187	-0.389
H9	1.762	0.869	-1.403
H10	-1.762	-0.869	1.403
H11	-1.999	-1.247	-0.317
H12	1.999	1.247	0.317
H13	0.515	-1.217	-0.762
H14	-0.515	1.217	0.762

	Cl1	Cl2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
Cl1		4.3208	2.6939	3.1279	1.8111	2.6857	2.8298	4.1186	2.7317	3.6781	2.9089	3.4896	2.9082	2.3510
Cl2	4.3208		3.1279	2.6939	2.6857	1.8111	4.1186	2.8298	3.6781	2.7317	3.4896	2.9089	2.3510	2.9082
C3	2.6939	3.1279		3.9259	1.5154	2.5629	1.0906	4.7067	4.2629	1.0907	1.0923	4.2210	2.7665	2.1686
C4	3.1279	2.6939	3.9259		2.5629	1.5154	4.7067	1.0906	1.0907	4.2629	4.2210	1.0923	2.1686	2.7665
C5	1.8111	2.6857	1.5154	2.5629		1.5221	2.1477	3.4902	2.8609	2.1517	2.1551	2.7960	2.1483	1.0924
C6	2.6857	1.8111	2.5629	1.5154	1.5221		3.4902	2.1477	2.1517	2.8609	2.7960	2.1551	1.0924	2.1483
H7	2.8298	4.1186	1.0906	4.7067	2.1477	3.4902		5.5921	4.9140	1.7733	1.7713	4.8787	3.7461	2.5005
H8	4.1186	2.8298	4.7067	1.0906	3.4902	2.1477	5.5921		1.7733	4.9140	4.8787	1.7713	2.5005	3.7461
H9	2.7317	3.6781	4.2629	1.0907	2.8609	2.1517	4.9140	1.7733		4.8282	4.4500	1.7767	2.5134	3.1605
H10	3.6781	2.7317	1.0907	4.2629	2.1517	2.8609	1.7733	4.9140	4.8282		1.7767	4.4500	3.1605	2.5134
H11	2.9089	3.4896	1.0923	4.2210	2.1551	2.7960	1.7713	4.8787	4.4500	1.7767		4.7547	2.5529	3.0719
H12	3.4896	2.9089	4.2210	1.0923	2.7960	2.1551	4.8787	1.7713	1.7767	4.4500	4.7547		3.0719	2.5529
H13	2.9082	2.3510	2.7665	2.1686	2.1483	1.0924	3.7461	2.5005	2.5134	3.1605	2.5529	3.0719		3.0496
H14	2.3510	2.9082	2.1686	2.7665	1.0924	2.1483	2.5005	3.7461	3.1605	2.5134	3.0719	2.5529	3.0496

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C5	C3	107.825	Cl1	C5	C6	107.044
Cl1	C5	H14	105.441	Cl2	C6	C4	107.825
Cl2	C6	C5	107.044	Cl2	C6	H13	105.441
C3	C5	C6	115.074	C3	C5	H14	111.494
C4	C6	C5	115.074	C4	C6	H13	111.494
C5	C3	H7	109.929	C5	C3	H10	110.241
C5	C3	H11	110.421	C5	C6	H13	109.406
C6	C4	H8	109.929	C6	C4	H9	110.241
C6	C4	H12	110.421	C6	C5	H14	109.406
H7	C3	H10	108.768	H7	C3	H11	108.480
H8	C4	H9	108.768	H8	C4	H12	108.480
H9	C4	H12	108.958	H10	C3	H11	108.958

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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