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	hartrees
Energy at 0K	-35.737496
Energy at 298.15K	-35.745255
HF Energy	-35.232147
Nuclear repulsion energy	71.633979

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'	3206	3043	42.03	49.97	0.60	0.75
2	A'	3189	3027	51.17	91.22	0.72	0.84
3	A'	3157	2997	8.54	111.01	0.37	0.54
4	A'	3088	2932	24.40	256.87	0.01	0.02
5	A'	1533	1455	10.08	0.74	0.63	0.77
6	A'	1519	1442	6.30	18.28	0.75	0.86
7	A'	1451	1377	7.64	2.44	0.22	0.36
8	A'	1325	1258	43.79	8.03	0.70	0.82
9	A'	1214	1152	15.60	2.56	0.65	0.79
10	A'	1108	1052	17.83	6.48	0.52	0.68
11	A'	929	882	9.29	9.85	0.63	0.77
12	A'	668	634	23.06	15.51	0.22	0.35
13	A'	424	402	1.48	2.87	0.36	0.53
14	A'	341	324	0.98	1.29	0.63	0.77
15	A'	284	270	0.15	0.22	0.66	0.80
16	A"	3201	3039	12.00	32.58	0.75	0.86
17	A"	3184	3023	3.60	16.22	0.75	0.86
18	A"	3086	2930	19.64	2.83	0.75	0.86
19	A"	1512	1436	0.32	21.86	0.75	0.86
20	A"	1507	1431	1.71	3.73	0.75	0.86
21	A"	1443	1370	11.55	1.00	0.75	0.86
22	A"	1377	1307	1.29	4.41	0.75	0.86
23	A"	1181	1121	1.93	7.29	0.75	0.86
24	A"	975	925	0.00	3.18	0.75	0.86
25	A"	954	905	2.25	0.35	0.75	0.86
26	A"	328	311	1.52	1.99	0.75	0.86
27	A"	253	240	0.04	0.08	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.893	1.022	0.000
C2	0.572	-0.059	0.000
C3	0.572	-0.909	1.281
C4	0.572	-0.909	-1.281
H5	1.432	0.630	0.000
H6	1.483	-1.535	1.301
H7	1.483	-1.535	-1.301
H8	0.560	-0.269	2.179
H9	0.560	-0.269	-2.179
H10	-0.313	-1.569	1.304
H11	-0.313	-1.569	-1.304

	Cl1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
Cl1		1.8204	2.7418	2.7418	2.3583	3.7259	3.7259	2.9206	2.9206	2.9583	2.9583
C2	1.8204		1.5377	1.5377	1.1027	2.1692	2.1692	2.1894	2.1894	2.1827	2.1827
C3	2.7418	1.5377		2.5624	2.1800	1.1062	2.8095	1.1027	3.5191	1.1038	2.8112
C4	2.7418	1.5377	2.5624		2.1800	2.8095	1.1062	3.5191	1.1027	2.8112	1.1038
H5	2.3583	1.1027	2.1800	2.1800		2.5272	2.5272	2.5137	2.5137	3.0959	3.0959
H6	3.7259	2.1692	1.1062	2.8095	2.5272		2.6030	1.7958	3.8170	1.7966	3.1652
H7	3.7259	2.1692	2.8095	1.1062	2.5272	2.6030		3.8170	1.7958	3.1652	1.7966
H8	2.9206	2.1894	1.1027	3.5191	2.5137	1.7958	3.8170		4.3584	1.7936	3.8193
H9	2.9206	2.1894	3.5191	1.1027	2.5137	3.8170	1.7958	4.3584		3.8193	1.7936
H10	2.9583	2.1827	1.1038	2.8112	3.0959	1.7966	3.1652	1.7936	3.8193		2.6087
H11	2.9583	2.1827	2.8112	1.1038	3.0959	3.1652	1.7966	3.8193	1.7936	2.6087

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	109.172	Cl1	C2	C4	109.172
Cl1	C3	H5	55.864	C2	C3	H6	109.169
C2	C3	H8	110.957	C2	C3	H10	110.364
C2	C4	H7	109.169	C2	C4	H9	110.957
C2	C4	H11	110.364	C3	C2	C4	112.852
C3	C2	H5	110.218	C4	C2	H5	110.218
H6	C3	H8	108.776	H6	C3	H10	108.771
H7	C4	H9	108.776	H7	C4	H11	108.771
H8	C3	H10	108.758	H9	C4	H11	108.758

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

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 CH3CHClCH3 (Propane, 2-chloro-)

using model chemistry: MP2/CEP-31G*

States and conformations

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