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	hartrees
Energy at 0K	-577.828067
Energy at 298.15K	-577.835835
HF Energy	-577.198872
Nuclear repulsion energy	165.018945

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3169	3002	24.90
2	A'	3151	2985	39.23
3	A'	3116	2952	5.68
4	A'	3065	2903	20.26
5	A'	1504	1425	5.75
6	A'	1492	1413	6.34
7	A'	1425	1350	3.72
8	A'	1303	1234	33.76
9	A'	1197	1134	12.81
10	A'	1089	1032	10.58
11	A'	923	874	8.22
12	A'	651	617	23.17
13	A'	425	403	1.66
14	A'	341	323	0.98
15	A'	282	267	0.10
16	A"	3165	2999	12.68
17	A"	3145	2979	1.74
18	A"	3061	2900	14.52
19	A"	1485	1407	0.40
20	A"	1481	1403	1.09
21	A"	1418	1344	7.86
22	A"	1368	1295	1.23
23	A"	1170	1109	1.88
24	A"	963	913	0.01
25	A"	940	891	0.72
26	A"	328	311	1.73
27	A"	251	238	0.03

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.891	1.022	0.000
C2	0.570	-0.064	0.000
C3	0.570	-0.906	1.274
C4	0.570	-0.906	-1.274
H5	1.432	0.624	0.000
H6	1.478	-1.538	1.299
H7	1.478	-1.538	-1.299
H8	0.563	-0.266	2.173
H9	0.563	-0.266	-2.173
H10	-0.317	-1.563	1.303
H11	-0.317	-1.563	-1.303

	Cl1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
Cl1		1.8206	2.7339	2.7339	2.3568	3.7215	3.7215	2.9141	2.9141	2.9503	2.9503
C2	1.8206		1.5271	1.5271	1.1032	2.1639	2.1639	2.1820	2.1820	2.1747	2.1747
C3	2.7339	1.5271		2.5486	2.1698	1.1061	2.8008	1.1028	3.5058	1.1044	2.8034
C4	2.7339	1.5271	2.5486		2.1698	2.8008	1.1061	3.5058	1.1028	2.8034	1.1044
H5	2.3568	1.1032	2.1698	2.1698		2.5231	2.5231	2.5040	2.5040	3.0886	3.0886
H6	3.7215	2.1639	1.1061	2.8008	2.5231		2.5978	1.7940	3.8088	1.7948	3.1605
H7	3.7215	2.1639	2.8008	1.1061	2.5231	2.5978		3.8088	1.7940	3.1605	1.7948
H8	2.9141	2.1820	1.1028	3.5058	2.5040	1.7940	3.8088		4.3453	1.7920	3.8121
H9	2.9141	2.1820	3.5058	1.1028	2.5040	3.8088	1.7940	4.3453		3.8121	1.7920
H10	2.9503	2.1747	1.1044	2.8034	3.0886	1.7948	3.1605	1.7920	3.8121		2.6052
H11	2.9503	2.1747	2.8034	1.1044	3.0886	3.1605	1.7948	3.8121	1.7920	2.6052

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	109.190	Cl1	C2	C4	109.190
Cl1	C3	H5	56.038	C2	C3	H6	109.490
C2	C3	H8	111.113	C2	C3	H10	110.432
C2	C4	H7	109.490	C2	C4	H9	111.113
C2	C4	H11	110.432	C3	C2	C4	113.120
C3	C2	H5	110.121	C4	C2	H5	110.121
H6	C3	H8	108.614	H6	C3	H10	108.567
H7	C4	H9	108.614	H7	C4	H11	108.567
H8	C3	H10	108.564	H9	C4	H11	108.564

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

using model chemistry: CCSD/cc-pVDZ

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: CCSD/cc-pVDZ

States and conformations

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