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	hartrees
Energy at 0K	-577.825120
Energy at 298.15K	-577.832901
HF Energy	-577.198893
Nuclear repulsion energy	165.142058

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3178	3040	23.50
2	A'	3160	3023	37.54
3	A'	3121	2986	6.66
4	A'	3072	2939	18.99
5	A'	1507	1441	5.79
6	A'	1494	1429	6.46
7	A'	1428	1366	3.92
8	A'	1309	1252	33.70
9	A'	1199	1147	12.50
10	A'	1093	1046	10.62
11	A'	927	887	7.97
12	A'	662	633	21.07
13	A'	427	408	1.51
14	A'	342	327	0.90
15	A'	282	270	0.10
16	A"	3174	3037	12.12
17	A"	3154	3017	1.56
18	A"	3068	2935	14.07
19	A"	1487	1423	0.45
20	A"	1483	1419	1.05
21	A"	1421	1360	8.28
22	A"	1370	1311	1.18
23	A"	1172	1122	1.97
24	A"	965	924	0.01
25	A"	942	901	0.74
26	A"	330	316	1.70
27	A"	251	240	0.03

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.888	1.022	0.000
C2	0.568	-0.064	0.000
C3	0.568	-0.906	1.274
C4	0.568	-0.906	-1.274
H5	1.432	0.621	0.000
H6	1.474	-1.540	1.298
H7	1.474	-1.540	-1.298
H8	0.562	-0.267	2.172
H9	0.562	-0.267	-2.172
H10	-0.320	-1.561	1.303
H11	-0.320	-1.561	-1.303

	Cl1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
Cl1		1.8166	2.7316	2.7316	2.3544	3.7187	3.7187	2.9126	2.9126	2.9488	2.9488
C2	1.8166		1.5271	1.5271	1.1031	2.1643	2.1643	2.1818	2.1818	2.1745	2.1745
C3	2.7316	1.5271		2.5480	2.1687	1.1058	2.7998	1.1025	3.5051	1.1041	2.8035
C4	2.7316	1.5271	2.5480		2.1687	2.7998	1.1058	3.5051	1.1025	2.8035	1.1041
H5	2.3544	1.1031	2.1687	2.1687		2.5218	2.5218	2.5031	2.5031	3.0876	3.0876
H6	3.7187	2.1643	1.1058	2.7998	2.5218		2.5966	1.7933	3.8075	1.7941	3.1601
H7	3.7187	2.1643	2.7998	1.1058	2.5218	2.5966		3.8075	1.7933	3.1601	1.7941
H8	2.9126	2.1818	1.1025	3.5051	2.5031	1.7933	3.8075		4.3446	1.7914	3.8121
H9	2.9126	2.1818	3.5051	1.1025	2.5031	3.8075	1.7933	4.3446		3.8121	1.7914
H10	2.9488	2.1745	1.1041	2.8035	3.0876	1.7941	3.1601	1.7914	3.8121		2.6063
H11	2.9488	2.1745	2.8035	1.1041	3.0876	3.1601	1.7941	3.8121	1.7914	2.6063

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	109.256	Cl1	C2	C4	109.256
Cl1	C3	H5	56.022	C2	C3	H6	109.541
C2	C3	H8	111.106	C2	C3	H10	110.435
C2	C4	H7	109.541	C2	C4	H9	111.106
C2	C4	H11	110.435	C3	C2	C4	113.078
C3	C2	H5	110.039	C4	C2	H5	110.039
H6	C3	H8	108.598	H6	C3	H10	108.552
H7	C4	H9	108.598	H7	C4	H11	108.552
H8	C3	H10	108.547	H9	C4	H11	108.547

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

using model chemistry: CCD/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: CCD/cc-pVDZ

States and conformations

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