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	hartrees
Energy at 0K	-1076.079869
Energy at 298.15K	-1076.089038
HF Energy	-1075.192128
Nuclear repulsion energy	370.746022

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3197	3038	0.00
2	A_g	3184	3025	0.00
3	A_g	3126	2971	0.00
4	A_g	3091	2937	0.00
5	A_g	1515	1440	0.00
6	A_g	1506	1431	0.00
7	A_g	1432	1361	0.00
8	A_g	1405	1335	0.00
9	A_g	1332	1265	0.00
10	A_g	1204	1144	0.00
11	A_g	1168	1110	0.00
12	A_g	1062	1009	0.00
13	A_g	885	841	0.00
14	A_g	749	712	0.00
15	A_g	488	463	0.00
16	A_g	361	343	0.00
17	A_g	299	284	0.00
18	A_g	229	218	0.00
19	A_u	3198	3039	13.92
20	A_u	3185	3026	25.50
21	A_u	3141	2984	11.75
22	A_u	3090	2936	16.14
23	A_u	1514	1439	19.85
24	A_u	1504	1429	6.24
25	A_u	1430	1359	17.69
26	A_u	1331	1265	9.95
27	A_u	1279	1215	32.00
28	A_u	1118	1062	7.92
29	A_u	1048	995	31.70
30	A_u	989	940	9.57
31	A_u	718	682	56.72
32	A_u	373	355	2.09
33	A_u	340	323	1.78
34	A_u	258	245	2.63
35	A_u	201	191	1.67
36	A_u	58	55	2.91

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.951	1.174	-1.544
Cl2	0.951	-1.174	1.544
C3	-1.871	-0.438	0.408
C4	1.871	0.438	-0.408
C5	-0.652	0.396	0.050
C6	0.652	-0.396	-0.050
H7	-2.768	0.184	0.384
H8	2.768	-0.184	-0.384
H9	1.763	0.863	-1.407
H10	-1.763	-0.863	1.407
H11	-1.994	-1.250	-0.314
H12	1.994	1.250	0.314
H13	0.513	-1.209	-0.766
H14	-0.513	1.209	0.766

	Cl1	Cl2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
Cl1		4.3206	2.6941	3.1300	1.7986	2.6957	2.8283	4.1254	2.7349	3.6769	2.9111	3.4832	2.9029	2.3516
Cl2	4.3206		3.1300	2.6941	2.6957	1.7986	4.1254	2.8283	3.6769	2.7349	3.4832	2.9111	2.3516	2.9029
C3	2.6941	3.1300		3.9297	1.5200	2.5650	1.0917	4.7132	4.2657	1.0911	1.0934	4.2189	2.7670	2.1653
C4	3.1300	2.6941	3.9297		2.5650	1.5200	4.7132	1.0917	1.0911	4.2657	4.2189	1.0934	2.1653	2.7670
C5	1.7986	2.6957	1.5200	2.5650		1.5286	2.1524	3.4957	2.8588	2.1589	2.1541	2.7932	2.1440	1.0931
C6	2.6957	1.7986	2.5650	1.5200	1.5286		3.4957	2.1524	2.1589	2.8588	2.7932	2.1541	1.0931	2.1440
H7	2.8283	4.1254	1.0917	4.7132	2.1524	3.4957		5.6009	4.9190	1.7757	1.7729	4.8801	3.7452	2.5064
H8	4.1254	2.8283	4.7132	1.0917	3.4957	2.1524	5.6009		1.7757	4.9190	4.8801	1.7729	2.5064	3.7452
H9	2.7349	3.6769	4.2657	1.0911	2.8588	2.1589	4.9190	1.7757		4.8302	4.4465	1.7798	2.5036	3.1656
H10	3.6769	2.7349	1.0911	4.2657	2.1589	2.8588	1.7757	4.9190	4.8302		1.7798	4.4465	3.1656	2.5036
H11	2.9111	3.4832	1.0934	4.2189	2.1541	2.7932	1.7729	4.8801	4.4465	1.7798		4.7484	2.5473	3.0673
H12	3.4832	2.9111	4.2189	1.0934	2.7932	2.1541	4.8801	1.7729	1.7798	4.4465	4.7484		3.0673	2.5473
H13	2.9029	2.3516	2.7670	2.1653	2.1440	1.0931	3.7452	2.5064	2.5036	3.1656	2.5473	3.0673		3.0409
H14	2.3516	2.9029	2.1653	2.7670	1.0931	2.1440	2.5064	3.7452	3.1656	2.5036	3.0673	2.5473	3.0409

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C5	C3	108.253	Cl1	C5	C6	107.957
Cl1	C5	H14	106.246	Cl2	C6	C4	108.253
Cl2	C6	C5	107.957	Cl2	C6	H13	106.246
C3	C5	C6	114.570	C3	C5	H14	110.860
C4	C6	C5	114.570	C4	C6	H13	110.860
C5	C3	H7	109.918	C5	C3	H10	110.472
C5	C3	H11	109.949	C5	C6	H13	108.591
C6	C4	H8	109.918	C6	C4	H9	110.472
C6	C4	H12	109.949	C6	C5	H14	108.591
H7	C3	H10	108.882	H7	C3	H11	108.457
H8	C4	H9	108.882	H8	C4	H12	108.457
H9	C4	H12	109.123	H10	C3	H11	109.123

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)-)