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	hartrees
Energy at 0K	-574.901617
Energy at 298.15K	-574.909376
HF Energy	-574.439466
Nuclear repulsion energy	164.030037

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3124	3003	28.55
2	A'	3105	2984	20.86
3	A'	3091	2971	2.62
4	A'	3033	2915	14.88
5	A'	1582	1520	9.90
6	A'	1570	1509	6.86
7	A'	1487	1429	6.38
8	A'	1339	1287	32.09
9	A'	1230	1182	13.88
10	A'	1130	1086	12.23
11	A'	874	840	8.90
12	A'	614	590	24.97
13	A'	427	411	1.68
14	A'	344	331	1.68
15	A'	276	266	0.09
16	A"	3115	2993	10.93
17	A"	3096	2975	2.82
18	A"	3029	2911	9.03
19	A"	1565	1504	1.00
20	A"	1560	1499	2.94
21	A"	1471	1414	10.42
22	A"	1403	1348	1.35
23	A"	1148	1103	3.03
24	A"	999	961	2.10
25	A"	971	934	0.17
26	A"	330	317	1.47
27	A"	256	246	0.02

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.912	1.018	0.000
C2	0.586	-0.052	0.000
C3	0.586	-0.908	1.283
C4	0.586	-0.908	-1.283
H5	1.432	0.643	0.000
H6	1.495	-1.528	1.305
H7	1.495	-1.528	-1.305
H8	0.565	-0.271	2.177
H9	0.565	-0.271	-2.177
H10	-0.295	-1.564	1.293
H11	-0.295	-1.564	-1.293

	Cl1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
Cl1		1.8407	2.7570	2.7570	2.3741	3.7390	3.7390	2.9295	2.9295	2.9524	2.9524
C2	1.8407		1.5430	1.5430	1.0950	2.1703	2.1703	2.1878	2.1878	2.1758	2.1758
C3	2.7570	1.5430		2.5667	2.1842	1.1005	2.8127	1.0974	3.5182	1.0982	2.8003
C4	2.7570	1.5430	2.5667		2.1842	2.8127	1.1005	3.5182	1.0974	2.8003	1.0982
H5	2.3741	1.0950	2.1842	2.1842		2.5345	2.5345	2.5151	2.5151	3.0865	3.0865
H6	3.7390	2.1703	1.1005	2.8127	2.5345		2.6104	1.7899	3.8168	1.7904	3.1551
H7	3.7390	2.1703	2.8127	1.1005	2.5345	2.6104		3.8168	1.7899	3.1551	1.7904
H8	2.9295	2.1878	1.0974	3.5182	2.5151	1.7899	3.8168		4.3533	1.7868	3.8010
H9	2.9295	2.1878	3.5182	1.0974	2.5151	3.8168	1.7899	4.3533		3.8010	1.7868
H10	2.9524	2.1758	1.0982	2.8003	3.0865	1.7904	3.1551	1.7868	3.8010		2.5853
H11	2.9524	2.1758	2.8003	1.0982	3.0865	3.1551	1.7904	3.8010	1.7868	2.5853

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	108.817	Cl1	C2	C4	108.817
Cl1	C3	H5	55.997	C2	C3	H6	109.228
C2	C3	H8	110.775	C2	C3	H10	109.785
C2	C4	H7	109.228	C2	C4	H9	110.775
C2	C4	H11	109.785	C3	C2	C4	112.551
C3	C2	H5	110.633	C4	C2	H5	110.633
H6	C3	H8	109.054	H6	C3	H10	109.035
H7	C4	H9	109.054	H7	C4	H11	109.035
H8	C3	H10	108.937	H9	C4	H11	108.937

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

using model chemistry: QCISD/3-21G*

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/3-21G*

States and conformations

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