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	hartrees
Energy at 0K	-1075.193175
Energy at 298.15K	-1075.202557
Nuclear repulsion energy	368.794838

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3276	2976	0.00
2	A_g	3270	2971	0.00
3	A_g	3255	2957	0.00
4	A_g	3190	2898	0.00
5	A_g	1615	1467	0.00
6	A_g	1610	1463	0.00
7	A_g	1549	1407	0.00
8	A_g	1521	1382	0.00
9	A_g	1404	1276	0.00
10	A_g	1280	1163	0.00
11	A_g	1221	1109	0.00
12	A_g	1120	1018	0.00
13	A_g	917	833	0.00
14	A_g	756	687	0.00
15	A_g	507	461	0.00
16	A_g	372	338	0.00
17	A_g	304	276	0.00
18	A_g	246	223	0.00
19	A_u	3286	2985	40.12
20	A_u	3276	2976	23.95
21	A_u	3255	2957	24.52
22	A_u	3189	2897	26.98
23	A_u	1615	1467	16.89
24	A_u	1607	1460	6.48
25	A_u	1546	1404	8.96
26	A_u	1433	1302	6.46
27	A_u	1345	1222	57.79
28	A_u	1181	1073	18.06
29	A_u	1103	1002	20.52
30	A_u	1041	946	20.93
31	A_u	697	633	132.26
32	A_u	389	354	4.56
33	A_u	357	324	2.86
34	A_u	263	239	3.13
35	A_u	217	197	2.65
36	A_u	65	59	4.47

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.969	1.192	-1.548
Cl2	0.969	-1.192	1.548
C3	-1.879	-0.441	0.407
C4	1.879	0.441	-0.407
C5	-0.656	0.391	0.056
C6	0.656	-0.391	-0.056
H7	-2.765	0.182	0.383
H8	2.765	-0.182	-0.383
H9	1.776	0.859	-1.400
H10	-1.776	-0.859	1.400
H11	-2.010	-1.250	-0.303
H12	2.010	1.250	0.303
H13	0.530	-1.207	-0.752
H14	-0.530	1.207	0.752

	Cl1	Cl2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
Cl1		4.3623	2.7051	3.1588	1.8198	2.7158	2.8242	4.1454	2.7696	3.6809	2.9327	3.5072	2.9391	2.3415
Cl2	4.3623		3.1588	2.7051	2.7158	1.8198	4.1454	2.8242	3.6809	2.7696	3.5072	2.9327	2.3415	2.9391
C3	2.7051	3.1588		3.9449	1.5206	2.5770	1.0825	4.7175	4.2796	1.0820	1.0846	4.2415	2.7811	2.1570
C4	3.1588	2.7051	3.9449		2.5770	1.5206	4.7175	1.0825	1.0820	4.2796	4.2415	1.0846	2.1570	2.7811
C5	1.8198	2.7158	1.5206	2.5770		1.5312	2.1445	3.4955	2.8726	2.1507	2.1579	2.8110	2.1477	1.0796
C6	2.7158	1.8198	2.5770	1.5206	1.5312		3.4955	2.1445	2.1507	2.8726	2.8110	2.1579	1.0796	2.1477
H7	2.8242	4.1454	1.0825	4.7175	2.1445	3.4955		5.5938	4.9253	1.7583	1.7580	4.8929	3.7512	2.4859
H8	4.1454	2.8242	4.7175	1.0825	3.4955	2.1445	5.5938		1.7583	4.9253	4.8929	1.7580	2.4859	3.7512
H9	2.7696	3.6809	4.2796	1.0820	2.8726	2.1507	4.9253	1.7583		4.8384	4.4704	1.7624	2.4979	3.1735
H10	3.6809	2.7696	1.0820	4.2796	2.1507	2.8726	1.7583	4.9253	4.8384		1.7624	4.4704	3.1735	2.4979
H11	2.9327	3.5072	1.0846	4.2415	2.1579	2.8110	1.7580	4.8929	4.4704	1.7624		4.7720	2.5795	3.0559
H12	3.5072	2.9327	4.2415	1.0846	2.8110	2.1579	4.8929	1.7580	1.7624	4.4704	4.7720		3.0559	2.5795
H13	2.9391	2.3415	2.7811	2.1570	2.1477	1.0796	3.7512	2.4859	2.4979	3.1735	2.5795	3.0559		3.0351
H14	2.3415	2.9391	2.1570	2.7811	1.0796	2.1477	2.4859	3.7512	3.1735	2.4979	3.0559	2.5795	3.0351

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C5	C3	107.817	Cl1	C5	C6	107.965
Cl1	C5	H14	104.822	Cl2	C6	C4	107.817
Cl2	C6	C5	107.965	Cl2	C6	H13	104.822
C3	C5	C6	115.217	C3	C5	H14	110.964
C4	C6	C5	115.217	C4	C6	H13	110.964
C5	C3	H7	109.793	C5	C3	H10	110.314
C5	C3	H11	110.733	C5	C6	H13	109.480
C6	C4	H8	109.793	C6	C4	H9	110.314
C6	C4	H12	110.733	C6	C5	H14	109.480
H7	C3	H10	108.649	H7	C3	H11	108.432
H8	C4	H9	108.649	H8	C4	H12	108.432
H9	C4	H12	108.867	H10	C3	H11	108.867

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

using model chemistry: HF/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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Number	Element	Mulliken
1	Cl	-0.144
2	Cl	-0.144
3	C	-0.180
4	C	-0.180
5	C	-0.209
6	C	-0.209
7	H	0.123
8	H	0.123
9	H	0.131
10	H	0.131
11	H	0.109
12	H	0.109
13	H	0.169
14	H	0.169

	x	y	z	Total
	0.000	0.000	0.000	0.000
CHELPG
AIM
ESP

	x	y	z
x	9.176	-0.465	0.698
y	-0.465	8.575	-2.349
z	0.698	-2.349	10.582

<r²>	292.677
(<r²>)^1/2	17.108

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

using model chemistry: HF/6-311G**

States and conformations

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