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	hartrees
Energy at 0K	-577.826840
Energy at 298.15K	-577.834689
HF Energy	-577.225305
Nuclear repulsion energy	166.497125

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'	3186	3028	21.54	57.97	0.59	0.74
2	A'	3170	3012	34.74	101.85	0.72	0.84
3	A'	3132	2976	5.40	120.89	0.42	0.60
4	A'	3078	2925	16.32	246.59	0.01	0.02
5	A'	1522	1446	7.93	0.94	0.74	0.85
6	A'	1514	1439	6.72	14.27	0.75	0.85
7	A'	1440	1368	6.49	1.14	0.51	0.67
8	A'	1342	1275	34.97	7.88	0.75	0.85
9	A'	1210	1149	12.27	1.00	0.63	0.77
10	A'	1109	1054	14.34	4.83	0.47	0.64
11	A'	933	886	8.61	7.61	0.63	0.77
12	A'	676	642	21.44	14.24	0.25	0.40
13	A'	431	410	1.37	0.97	0.23	0.38
14	A'	348	330	0.72	1.04	0.74	0.85
15	A'	297	283	0.09	0.06	0.69	0.82
16	A"	3183	3025	11.27	41.25	0.75	0.86
17	A"	3164	3006	0.94	12.86	0.75	0.86
18	A"	3075	2922	11.68	1.51	0.75	0.86
19	A"	1501	1427	0.78	10.31	0.75	0.86
20	A"	1500	1425	1.25	9.30	0.75	0.86
21	A"	1426	1355	11.71	0.89	0.75	0.86
22	A"	1370	1302	1.15	2.89	0.75	0.86
23	A"	1178	1120	1.70	3.58	0.75	0.86
24	A"	972	924	0.00	2.05	0.75	0.86
25	A"	952	905	1.15	0.08	0.75	0.86
26	A"	335	318	1.25	1.19	0.75	0.86
27	A"	259	246	0.05	0.16	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.883	1.010	0.000
C2	0.566	-0.058	0.000
C3	0.566	-0.897	1.266
C4	0.566	-0.897	-1.266
H5	1.421	0.621	0.000
H6	1.461	-1.527	1.287
H7	1.461	-1.527	-1.287
H8	0.559	-0.266	2.157
H9	0.559	-0.266	-2.157
H10	-0.317	-1.542	1.291
H11	-0.317	-1.542	-1.291

	Cl1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
Cl1		1.7995	2.7087	2.7087	2.3369	3.6859	3.6859	2.8913	2.8913	2.9146	2.9146
C2	1.7995		1.5189	1.5189	1.0924	2.1485	2.1485	2.1671	2.1671	2.1556	2.1556
C3	2.7087	1.5189		2.5323	2.1540	1.0951	2.7783	1.0919	3.4810	1.0934	2.7809
C4	2.7087	1.5189	2.5323		2.1540	2.7783	1.0951	3.4810	1.0919	2.7809	1.0934
H5	2.3369	1.0924	2.1540	2.1540		2.5041	2.5041	2.4865	2.4865	3.0603	3.0603
H6	3.6859	2.1485	1.0951	2.7783	2.5041		2.5746	1.7777	3.7772	1.7787	3.1322
H7	3.6859	2.1485	2.7783	1.0951	2.5041	2.5746		3.7772	1.7777	3.1322	1.7787
H8	2.8913	2.1671	1.0919	3.4810	2.4865	1.7777	3.7772		4.3142	1.7736	3.7795
H9	2.8913	2.1671	3.4810	1.0919	2.4865	3.7772	1.7777	4.3142		3.7795	1.7736
H10	2.9146	2.1556	1.0934	2.7809	3.0603	1.7787	3.1322	1.7736	3.7795		2.5818
H11	2.9146	2.1556	2.7809	1.0934	3.0603	3.1322	1.7787	3.7795	1.7736	2.5818

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	109.131	Cl1	C2	C4	109.131
Cl1	C3	H5	56.059	C2	C3	H6	109.490
C2	C3	H8	111.152	C2	C3	H10	110.147
C2	C4	H7	109.490	C2	C4	H9	111.152
C2	C4	H11	110.147	C3	C2	C4	112.943
C3	C2	H5	110.077	C4	C2	H5	110.077
H6	C3	H8	108.752	H6	C3	H10	108.736
H7	C4	H9	108.752	H7	C4	H11	108.736
H8	C3	H10	108.513	H9	C4	H11	108.513

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

using model chemistry: MP2/6-311G**

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: MP2/6-311G**

States and conformations

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