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	hartrees
Energy at 0K	-56.756920
Energy at 298.15K	-56.765998
HF Energy	-55.992221
Nuclear repulsion energy	136.527809

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3215	3052	0.00
2	A_g	3204	3042	0.00
3	A_g	3149	2990	0.00
4	A_g	3100	2943	0.00
5	A_g	1523	1445	0.00
6	A_g	1516	1440	0.00
7	A_g	1447	1374	0.00
8	A_g	1418	1346	0.00
9	A_g	1314	1247	0.00
10	A_g	1210	1149	0.00
11	A_g	1170	1111	0.00
12	A_g	1059	1005	0.00
13	A_g	884	840	0.00
14	A_g	742	705	0.00
15	A_g	480	456	0.00
16	A_g	354	336	0.00
17	A_g	293	278	0.00
18	A_g	227	215	0.00
19	A_u	3215	3053	23.28
20	A_u	3205	3043	44.70
21	A_u	3162	3002	16.33
22	A_u	3100	2943	29.98
23	A_u	1524	1446	21.19
24	A_u	1511	1435	7.97
25	A_u	1444	1371	16.78
26	A_u	1335	1268	5.81
27	A_u	1256	1192	40.53
28	A_u	1123	1066	9.09
29	A_u	1051	998	34.38
30	A_u	994	944	11.61
31	A_u	708	672	62.12
32	A_u	366	348	2.83
33	A_u	338	320	2.19
34	A_u	251	239	3.26
35	A_u	202	192	2.45
36	A_u	67	64	3.46

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.959	1.195	-1.555
Cl2	0.959	-1.195	1.555
C3	-1.892	-0.444	0.412
C4	1.892	0.444	-0.412
C5	-0.658	0.402	0.056
C6	0.658	-0.402	-0.056
H7	-2.797	0.185	0.381
H8	2.797	-0.185	-0.381
H9	1.782	0.865	-1.425
H10	-1.782	-0.865	1.425
H11	-2.010	-1.270	-0.311
H12	2.010	1.270	0.311
H13	0.518	-1.226	-0.777
H14	-0.518	1.226	0.777

	Cl1	Cl2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
Cl1		4.3654	2.7247	3.1624	1.8206	2.7219	2.8531	4.1700	2.7646	3.7140	2.9534	3.5072	2.9405	2.3731
Cl2	4.3654		3.1624	2.7247	2.7219	1.8206	4.1700	2.8531	3.7140	2.7646	3.5072	2.9534	2.3731	2.9405
C3	2.7247	3.1624		3.9741	1.5383	2.5934	1.1021	4.7627	4.3117	1.1019	1.1037	4.2631	2.7994	2.1932
C4	3.1624	2.7247	3.9741		2.5934	1.5383	4.7627	1.1021	1.1019	4.3117	4.2631	1.1037	2.1932	2.7994
C5	1.8206	2.7219	1.5383	2.5934		1.5460	2.1740	3.5313	2.8919	2.1772	2.1809	2.8167	2.1743	1.1035
C6	2.7219	1.8206	2.5934	1.5383	1.5460		3.5313	2.1740	2.1772	2.8919	2.8167	2.1809	1.1035	2.1743
H7	2.8531	4.1700	1.1021	4.7627	2.1740	3.5313		5.6570	4.9688	1.7945	1.7929	4.9276	3.7842	2.5359
H8	4.1700	2.8531	4.7627	1.1021	3.5313	2.1740	5.6570		1.7945	4.9688	4.9276	1.7929	2.5359	3.7842
H9	2.7646	3.7140	4.3117	1.1019	2.8919	2.1772	4.9688	1.7945		4.8803	4.4917	1.7967	2.5273	3.2049
H10	3.7140	2.7646	1.1019	4.3117	2.1772	2.8919	1.7945	4.9688	4.8803		1.7967	4.4917	3.2049	2.5273
H11	2.9534	3.5072	1.1037	4.2631	2.1809	2.8167	1.7929	4.9276	4.4917	1.7967		4.7949	2.5710	3.1041
H12	3.5072	2.9534	4.2631	1.1037	2.8167	2.1809	4.9276	1.7929	1.7967	4.4917	4.7949		3.1041	2.5710
H13	2.9405	2.3731	2.7994	2.1932	2.1743	1.1035	3.7842	2.5359	2.5273	3.2049	2.5710	3.1041		3.0822
H14	2.3731	2.9405	2.1932	2.7994	1.1035	2.1743	2.5359	3.7842	3.2049	2.5273	3.1041	2.5710	3.0822

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C5	C3	108.132	Cl1	C5	C6	107.619
Cl1	C5	H14	105.882	Cl2	C6	C4	108.132
Cl2	C6	C5	107.619	Cl2	C6	H13	105.882
C3	C5	C6	114.457	C3	C5	H14	111.175
C4	C6	C5	114.457	C4	C6	H13	111.175
C5	C3	H7	109.743	C5	C3	H10	110.010
C5	C3	H11	110.193	C5	C6	H13	109.157
C6	C4	H8	109.743	C6	C4	H9	110.010
C6	C4	H12	110.193	C6	C5	H14	109.157
H7	C3	H10	109.018	H7	C3	H11	108.748
H8	C4	H9	109.018	H8	C4	H12	108.748
H9	C4	H12	109.101	H10	C3	H11	109.101

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

using model chemistry: MP2/CEP-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/CEP-31G*

States and conformations

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