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	hartrees
Energy at 0K	-1036.770480
Energy at 298.15K	-1036.777553
HF Energy	-1036.077165
Nuclear repulsion energy	278.532832

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3261	3054	4.12
2	A	3251	3044	7.98
3	A	3243	3037	10.59
4	A	3195	2992	6.69
5	A	3181	2979	5.83
6	A	3142	2942	7.22
7	A	1556	1457	6.28
8	A	1550	1452	4.65
9	A	1535	1438	5.47
10	A	1467	1374	9.35
11	A	1424	1333	2.40
12	A	1381	1293	1.12
13	A	1322	1238	21.87
14	A	1270	1189	17.04
15	A	1191	1115	0.99
16	A	1138	1066	4.78
17	A	1075	1007	16.14
18	A	952	891	3.25
19	A	911	853	0.91
20	A	808	757	26.16
21	A	733	687	42.60
22	A	423	396	0.81
23	A	367	344	1.62
24	A	296	277	0.31
25	A	269	252	0.50
26	A	215	201	6.16
27	A	120	112	4.62

Atom	x (Å)	y (Å)	z (Å)
C1	-0.563	-0.672	0.332
Cl2	-2.226	-0.170	-0.079
H3	-0.441	-1.699	-0.000
H4	-0.454	-0.627	1.413
C5	0.458	0.231	-0.341
H6	0.320	0.187	-1.420
Cl7	2.071	-0.492	-0.016
C8	0.429	1.665	0.146
H9	-0.539	2.109	-0.074
H10	0.599	1.703	1.221
H11	1.203	2.248	-0.348

	C1	Cl2	H3	H4	C5	H6	Cl7	C8	H9	H10	H11
C1		1.7843	1.0859	1.0876	1.5194	2.1412	2.6628	2.5457	2.8104	2.7894	3.4794
Cl2	1.7843		2.3507	2.3602	2.7256	2.8995	4.3088	3.2354	2.8353	3.6301	4.2040
H3	1.0859	2.3507		1.7732	2.1557	2.4802	2.7869	3.4777	3.8097	3.7607	4.2897
H4	1.0876	2.3602	1.7732		2.1545	3.0472	2.9045	2.7640	3.1152	2.5642	3.7568
C5	1.5194	2.7256	2.1557	2.1545		1.0886	1.7971	1.5148	2.1430	2.1505	2.1506
H6	2.1412	2.8995	2.4802	3.0472	1.0886		2.3441	2.1558	2.4985	3.0573	2.4849
Cl7	2.6628	4.3088	2.7869	2.9045	1.7971	2.3441		2.7153	3.6851	2.9174	2.8935
C8	2.5457	3.2354	3.4777	2.7640	1.5148	2.1558	2.7153		1.0881	1.0889	1.0872
H9	2.8104	2.8353	3.8097	3.1152	2.1430	2.4985	3.6851	1.0881		1.7717	1.7687
H10	2.7894	3.6301	3.7607	2.5642	2.1505	3.0573	2.9174	1.0889	1.7717		1.7673
H11	3.4794	4.2040	4.2897	3.7568	2.1506	2.4849	2.8935	1.0872	1.7687	1.7673

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.263	C1	C5	Cl7	106.516
C1	C5	C8	114.070	Cl2	C1	H3	107.465
Cl2	C1	H4	108.076	Cl2	C1	C5	110.931
H3	C1	H4	109.341	H3	C1	C5	110.567
H4	C1	C5	110.374	C5	C8	H9	109.748
C5	C8	H10	110.295	C5	C8	H11	110.404
H6	C5	Cl7	106.023	H6	C5	C8	110.735
Cl7	C5	C8	109.846	H9	C8	H10	108.947
H9	C8	H11	108.800	H10	C8	H11	108.609

All results from a given calculation for CH₂ClCHClCH₃ (Propane, 1,2-dichloro-)

using model chemistry: MP2/6-31G**

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 CH2ClCHClCH3 (Propane, 1,2-dichloro-)

using model chemistry: MP2/6-31G**

States and conformations

All results from a given calculation for CH₂ClCHClCH₃ (Propane, 1,2-dichloro-)