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	hartrees
Energy at 0K	-577.469301
Energy at 298.15K	-577.476955
HF Energy	-577.101127
Nuclear repulsion energy	161.417401

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3122	3008	37.63
2	A'	3100	2987	15.62
3	A'	3084	2972	13.44
4	A'	3014	2904	24.38
5	A'	1554	1497	9.67
6	A'	1543	1486	7.44
7	A'	1483	1429	5.27
8	A'	1315	1267	40.98
9	A'	1232	1187	21.09
10	A'	1106	1065	9.46
11	A'	900	867	8.59
12	A'	564	544	31.13
13	A'	421	406	2.70
14	A'	334	322	2.71
15	A'	264	254	0.14
16	A"	3111	2998	14.44
17	A"	3084	2972	4.33
18	A"	3010	2900	10.83
19	A"	1539	1483	1.29
20	A"	1532	1476	2.91
21	A"	1467	1413	10.53
22	A"	1407	1356	2.52
23	A"	1174	1132	3.19
24	A"	991	955	0.39
25	A"	981	945	1.24
26	A"	311	300	2.03
27	A"	240	231	0.06

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.960	1.032	0.000
C2	0.619	-0.082	0.000
C3	0.619	-0.913	1.289
C4	0.619	-0.913	-1.289
H5	1.430	0.658	0.000
H6	1.540	-1.522	1.326
H7	1.540	-1.522	-1.326
H8	0.587	-0.268	2.179
H9	0.587	-0.268	-2.179
H10	-0.250	-1.589	1.314
H11	-0.250	-1.589	-1.314

	Cl1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
Cl1		1.9322	2.8173	2.8173	2.4188	3.8118	3.8118	2.9723	2.9723	3.0171	3.0171
C2	1.9322		1.5335	1.5335	1.0976	2.1634	2.1634	2.1875	2.1875	2.1805	2.1805
C3	2.8173	1.5335		2.5776	2.1876	1.1046	2.8386	1.1001	3.5278	1.1015	2.8264
C4	2.8173	1.5335	2.5776		2.1876	2.8386	1.1046	3.5278	1.1001	2.8264	1.1015
H5	2.4188	1.0976	2.1876	2.1876		2.5536	2.5536	2.5130	2.5130	3.0982	3.0982
H6	3.8118	2.1634	1.1046	2.8386	2.5536		2.6526	1.7907	3.8430	1.7914	3.1909
H7	3.8118	2.1634	2.8386	1.1046	2.5536	2.6526		3.8430	1.7907	3.1909	1.7914
H8	2.9723	2.1875	1.1001	3.5278	2.5130	1.7907	3.8430		4.3587	1.7879	3.8280
H9	2.9723	2.1875	3.5278	1.1001	2.5130	3.8430	1.7907	4.3587		3.8280	1.7879
H10	3.0171	2.1805	1.1015	2.8264	3.0982	1.7914	3.1909	1.7879	3.8280		2.6286
H11	3.0171	2.1805	2.8264	1.1015	3.0982	3.1909	1.7914	3.8280	1.7879	2.6286

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	108.208	Cl1	C2	C4	108.208
Cl1	C3	H5	56.115	C2	C3	H6	109.099
C2	C3	H8	111.257	C2	C3	H10	110.620
C2	C4	H7	109.099	C2	C4	H9	111.257
C2	C4	H11	110.620	C3	C2	C4	114.371
C3	C2	H5	111.420	C4	C2	H5	111.420
H6	C3	H8	108.622	H6	C3	H10	108.586
H7	C4	H9	108.622	H7	C4	H11	108.586
H8	C3	H10	108.595	H9	C4	H11	108.595

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-)