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	hartrees
Energy at 0K	-577.988426
Energy at 298.15K	-577.996198
HF Energy	-577.251170
Nuclear repulsion energy	166.814169

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3177	3027	14.07	55.10	0.54	0.70
2	A'	3159	3010	26.94	89.24	0.71	0.83
3	A'	3121	2974	2.44	106.58	0.37	0.54
4	A'	3068	2924	16.04	331.87	0.01	0.01
5	A'	1524	1453	7.60	0.45	0.75	0.85
6	A'	1510	1439	9.03	6.48	0.75	0.86
7	A'	1424	1357	6.18	0.24	0.75	0.86
8	A'	1301	1239	29.17	5.11	0.56	0.71
9	A'	1198	1141	14.17	1.92	0.56	0.72
10	A'	1093	1041	12.35	4.23	0.20	0.33
11	A'	921	878	8.91	6.97	0.45	0.62
12	A'	661	630	21.35	15.83	0.15	0.26
13	A'	423	403	1.44	1.50	0.07	0.13
14	A'	338	322	1.01	1.12	0.47	0.64
15	A'	280	267	0.12	0.06	0.56	0.72
16	A"	3174	3024	9.31	32.91	0.75	0.86
17	A"	3153	3005	0.46	11.57	0.75	0.86
18	A"	3066	2922	10.52	2.87	0.75	0.86
19	A"	1503	1432	0.17	6.40	0.75	0.86
20	A"	1497	1427	2.62	2.30	0.75	0.86
21	A"	1410	1344	11.52	0.00	0.75	0.86
22	A"	1367	1303	0.73	1.90	0.75	0.86
23	A"	1169	1114	1.95	2.65	0.75	0.86
24	A"	965	920	0.05	0.80	0.75	0.86
25	A"	945	901	0.97	0.19	0.75	0.86
26	A"	326	310	1.37	1.03	0.75	0.86
27	A"	247	236	0.02	0.03	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.888	1.003	0.000
C2	0.570	-0.056	0.000
C3	0.570	-0.893	1.261
C4	0.570	-0.893	-1.261
H5	1.412	0.635	0.000
H6	1.468	-1.512	1.286
H7	1.468	-1.512	-1.286
H8	0.553	-0.265	2.150
H9	0.553	-0.265	-2.150
H10	-0.303	-1.544	1.279
H11	-0.303	-1.544	-1.279

	Cl1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
Cl1		1.8023	2.7045	2.7045	2.3293	3.6792	3.6792	2.8819	2.8819	2.9103	2.9103
C2	1.8023		1.5141	1.5141	1.0886	2.1408	2.1408	2.1597	2.1597	2.1482	2.1482
C3	2.7045	1.5141		2.5229	2.1526	1.0912	2.7716	1.0880	3.4684	1.0897	2.7642
C4	2.7045	1.5141	2.5229		2.1526	2.7716	1.0912	3.4684	1.0880	2.7642	1.0897
H5	2.3293	1.0886	2.1526	2.1526		2.5037	2.5037	2.4834	2.4834	3.0538	3.0538
H6	3.6792	2.1408	1.0912	2.7716	2.5037		2.5728	1.7718	3.7683	1.7716	3.1177
H7	3.6792	2.1408	2.7716	1.0912	2.5037	2.5728		3.7683	1.7718	3.1177	1.7716
H8	2.8819	2.1597	1.0880	3.4684	2.4834	1.7718	3.7683		4.2991	1.7687	3.7584
H9	2.8819	2.1597	3.4684	1.0880	2.4834	3.7683	1.7718	4.2991		3.7584	1.7687
H10	2.9103	2.1482	1.0897	2.7642	3.0538	1.7716	3.1177	1.7687	3.7584		2.5580
H11	2.9103	2.1482	2.7642	1.0897	3.0538	3.1177	1.7716	3.7584	1.7687	2.5580

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	108.964	Cl1	C2	C4	108.964
Cl1	C3	H5	55.932	C2	C3	H6	109.447
C2	C3	H8	111.146	C2	C3	H10	110.121
C2	C4	H7	109.447	C2	C4	H9	111.146
C2	C4	H11	110.121	C3	C2	C4	112.852
C3	C2	H5	110.534	C4	C2	H5	110.534
H6	C3	H8	108.795	H6	C3	H10	108.654
H7	C4	H9	108.795	H7	C4	H11	108.654
H8	C3	H10	108.627	H9	C4	H11	108.627

All results from a given calculation for CH₃CHClCH₃ (Propane, 2-chloro-)

using model chemistry: MP2/aug-cc-pVTZ

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 CH3CHClCH3 (Propane, 2-chloro-)

using model chemistry: MP2/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃CHClCH₃ (Propane, 2-chloro-)