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	hartrees
Energy at 0K	-577.913507
Energy at 298.15K	-577.921348
HF Energy	-577.233637
Nuclear repulsion energy	166.574893

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'	3195	3044	21.12	56.09	0.54	0.70
2	A'	3179	3028	34.73	91.30	0.72	0.84
3	A'	3145	2996	3.35	122.76	0.42	0.59
4	A'	3086	2940	17.25	281.53	0.01	0.02
5	A'	1524	1452	9.56	0.25	0.65	0.79
6	A'	1518	1447	5.66	13.86	0.73	0.85
7	A'	1452	1384	6.48	0.76	0.75	0.86
8	A'	1336	1272	35.06	7.44	0.75	0.86
9	A'	1218	1161	12.04	0.89	0.57	0.72
10	A'	1109	1057	11.09	4.82	0.43	0.60
11	A'	931	887	9.19	8.41	0.61	0.76
12	A'	670	638	21.25	15.29	0.28	0.44
13	A'	432	411	1.60	1.02	0.14	0.25
14	A'	348	331	0.72	1.04	0.68	0.81
15	A'	297	283	0.12	0.08	0.71	0.83
16	A"	3192	3041	12.26	38.68	0.75	0.86
17	A"	3172	3022	0.93	10.33	0.75	0.86
18	A"	3083	2937	12.04	1.47	0.75	0.86
19	A"	1504	1432	0.11	14.71	0.75	0.86
20	A"	1502	1431	2.07	2.67	0.75	0.86
21	A"	1434	1366	10.63	0.42	0.75	0.86
22	A"	1377	1312	1.32	3.40	0.75	0.86
23	A"	1179	1123	2.17	3.75	0.75	0.86
24	A"	976	930	0.11	2.23	0.75	0.86
25	A"	960	915	0.72	0.06	0.75	0.86
26	A"	334	318	1.65	1.37	0.75	0.86
27	A"	253	241	0.01	0.06	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.887	1.012	0.000
C2	0.568	-0.062	0.000
C3	0.568	-0.898	1.260
C4	0.568	-0.898	-1.260
H5	1.420	0.615	0.000
H6	1.460	-1.526	1.279
H7	1.460	-1.526	-1.279
H8	0.565	-0.273	2.150
H9	0.565	-0.273	-2.150
H10	-0.311	-1.541	1.288
H11	-0.311	-1.541	-1.288

	Cl1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
Cl1		1.8085	2.7122	2.7122	2.3408	3.6859	3.6859	2.8954	2.8954	2.9172	2.9172
C2	1.8085		1.5128	1.5128	1.0880	2.1388	2.1388	2.1608	2.1608	2.1495	2.1495
C3	2.7122	1.5128		2.5209	2.1459	1.0909	2.7634	1.0878	3.4678	1.0893	2.7715
C4	2.7122	1.5128	2.5209		2.1459	2.7634	1.0909	3.4678	1.0878	2.7715	1.0893
H5	2.3408	1.0880	2.1459	2.1459		2.4940	2.4940	2.4789	2.4789	3.0503	3.0503
H6	3.6859	2.1388	1.0909	2.7634	2.4940		2.5572	1.7697	3.7590	1.7713	3.1186
H7	3.6859	2.1388	2.7634	1.0909	2.4940	2.5572		3.7590	1.7697	3.1186	1.7713
H8	2.8954	2.1608	1.0878	3.4678	2.4789	1.7697	3.7590		4.3010	1.7658	3.7681
H9	2.8954	2.1608	3.4678	1.0878	2.4789	3.7590	1.7697	4.3010		3.7681	1.7658
H10	2.9172	2.1495	1.0893	2.7715	3.0503	1.7713	3.1186	1.7658	3.7681		2.5763
H11	2.9172	2.1495	2.7715	1.0893	3.0503	3.1186	1.7713	3.7681	1.7658	2.5763

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	109.172	Cl1	C2	C4	109.172
Cl1	C3	H5	56.164	C2	C3	H6	109.388
C2	C3	H8	111.335	C2	C3	H10	110.332
C2	C4	H7	109.388	C2	C4	H9	111.335
C2	C4	H11	110.332	C3	C2	C4	112.854
C3	C2	H5	110.122	C4	C2	H5	110.122
H6	C3	H8	108.644	H6	C3	H10	108.676
H7	C4	H9	108.644	H7	C4	H11	108.676
H8	C3	H10	108.407	H9	C4	H11	108.407

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

using model chemistry: MP2=FULL/TZVP

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=FULL/TZVP

States and conformations

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