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	hartrees
Energy at 0K	-577.746664
Energy at 298.15K	-577.754462
HF Energy	-577.168604
Nuclear repulsion energy	165.734255

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3169	3018	27.87
2	A'	3150	3000	38.81
3	A'	3122	2973	3.51
4	A'	3073	2926	18.41
5	A'	1555	1481	8.21
6	A'	1542	1469	6.15
7	A'	1474	1404	6.31
8	A'	1351	1286	37.07
9	A'	1229	1170	11.70
10	A'	1122	1069	13.47
11	A'	931	887	8.31
12	A'	659	628	24.87
13	A'	435	414	1.66
14	A'	349	332	1.19
15	A'	283	269	0.11
16	A"	3165	3014	13.06
17	A"	3144	2994	2.23
18	A"	3068	2922	12.39
19	A"	1536	1462	0.65
20	A"	1531	1458	2.14
21	A"	1462	1392	10.74
22	A"	1403	1337	0.66
23	A"	1188	1131	1.86
24	A"	986	939	0.01
25	A"	967	921	1.39
26	A"	333	317	1.63
27	A"	255	242	0.03

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.887	1.019	0.000
C2	0.568	-0.065	0.000
C3	0.568	-0.904	1.269
C4	0.568	-0.904	-1.269
H5	1.423	0.618	0.000
H6	1.469	-1.532	1.291
H7	1.469	-1.532	-1.291
H8	0.563	-0.269	2.162
H9	0.563	-0.269	-2.162
H10	-0.313	-1.556	1.299
H11	-0.313	-1.556	-1.299

	Cl1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
Cl1		1.8144	2.7253	2.7253	2.3450	3.7050	3.7050	2.9046	2.9046	2.9408	2.9408
C2	1.8144		1.5218	1.5218	1.0947	2.1522	2.1522	2.1718	2.1718	2.1648	2.1648
C3	2.7253	1.5218		2.5390	2.1588	1.0984	2.7864	1.0953	3.4898	1.0964	2.7923
C4	2.7253	1.5218	2.5390		2.1588	2.7864	1.0984	3.4898	1.0953	2.7923	1.0964
H5	2.3450	1.0947	2.1588	2.1588		2.5085	2.5085	2.4906	2.4906	3.0706	3.0706
H6	3.7050	2.1522	1.0984	2.7864	2.5085		2.5827	1.7815	3.7871	1.7821	3.1439
H7	3.7050	2.1522	2.7864	1.0984	2.5085	2.5827		3.7871	1.7815	3.1439	1.7821
H8	2.9046	2.1718	1.0953	3.4898	2.4906	1.7815	3.7871		4.3243	1.7798	3.7948
H9	2.9046	2.1718	3.4898	1.0953	2.4906	3.7871	1.7815	4.3243		3.7948	1.7798
H10	2.9408	2.1648	1.0964	2.7923	3.0706	1.7821	3.1439	1.7798	3.7948		2.5975
H11	2.9408	2.1648	2.7923	1.0964	3.0706	3.1439	1.7821	3.7948	1.7798	2.5975

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	109.240	Cl1	C2	C4	109.240
Cl1	C3	H5	55.949	C2	C3	H6	109.383
C2	C3	H8	111.120	C2	C3	H10	110.500
C2	C4	H7	109.383	C2	C4	H9	111.120
C2	C4	H11	110.500	C3	C2	C4	113.066
C3	C2	H5	110.120	C4	C2	H5	110.120
H6	C3	H8	108.602	H6	C3	H10	108.575
H7	C4	H9	108.602	H7	C4	H11	108.575
H8	C3	H10	108.600	H9	C4	H11	108.600

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

using model chemistry: QCISD/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 CH3CHClCH3 (Propane, 2-chloro-)

using model chemistry: QCISD/6-31G*

States and conformations

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