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	hartrees
Energy at 0K	-577.466157
Energy at 298.15K	-577.473844
HF Energy	-577.101302
Nuclear repulsion energy	161.773606

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3129	3003	37.53
2	A'	3108	2983	22.18
3	A'	3094	2968	7.93
4	A'	3024	2902	22.80
5	A'	1557	1494	9.73
6	A'	1546	1483	7.66
7	A'	1487	1427	5.56
8	A'	1328	1274	41.15
9	A'	1236	1186	18.78
10	A'	1113	1068	10.28
11	A'	907	870	8.45
12	A'	588	564	27.33
13	A'	425	407	2.06
14	A'	338	324	2.17
15	A'	264	254	0.12
16	A"	3121	2994	14.45
17	A"	3095	2970	3.94
18	A"	3021	2898	10.94
19	A"	1542	1479	1.35
20	A"	1535	1473	2.99
21	A"	1471	1411	11.45
22	A"	1411	1354	2.35
23	A"	1179	1131	3.42
24	A"	994	953	0.30
25	A"	983	943	1.36
26	A"	315	302	1.93
27	A"	240	230	0.05

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.949	1.036	0.000
C2	0.611	-0.082	0.000
C3	0.611	-0.915	1.288
C4	0.611	-0.915	-1.288
H5	1.432	0.647	0.000
H6	1.529	-1.528	1.322
H7	1.529	-1.528	-1.322
H8	0.584	-0.272	2.179
H9	0.584	-0.272	-2.179
H10	-0.261	-1.588	1.314
H11	-0.261	-1.588	-1.314

	Cl1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
Cl1		1.9186	2.8100	2.8100	2.4119	3.8023	3.8023	2.9677	2.9677	3.0140	3.0140
C2	1.9186		1.5338	1.5338	1.0976	2.1638	2.1638	2.1875	2.1875	2.1807	2.1807
C3	2.8100	1.5338		2.5751	2.1844	1.1041	2.8337	1.0999	3.5260	1.1013	2.8252
C4	2.8100	1.5338	2.5751		2.1844	2.8337	1.1041	3.5260	1.0999	2.8252	1.1013
H5	2.4119	1.0976	2.1844	2.1844		2.5468	2.5468	2.5121	2.5121	3.0961	3.0961
H6	3.8023	2.1638	1.1041	2.8337	2.5468		2.6449	1.7898	3.8380	1.7907	3.1873
H7	3.8023	2.1638	2.8337	1.1041	2.5468	2.6449		3.8380	1.7898	3.1873	1.7907
H8	2.9677	2.1875	1.0999	3.5260	2.5121	1.7898	3.8380		4.3582	1.7873	3.8276
H9	2.9677	2.1875	3.5260	1.0999	2.5121	3.8380	1.7898	4.3582		3.8276	1.7873
H10	3.0140	2.1807	1.1013	2.8252	3.0961	1.7907	3.1873	1.7873	3.8276		2.6286
H11	3.0140	2.1807	2.8252	1.1013	3.0961	3.1873	1.7907	3.8276	1.7873	2.6286

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	108.452	Cl1	C2	C4	108.452
Cl1	C3	H5	56.080	C2	C3	H6	109.141
C2	C3	H8	111.254	C2	C3	H10	110.630
C2	C4	H7	109.141	C2	C4	H9	111.254
C2	C4	H11	110.630	C3	C2	C4	114.167
C3	C2	H5	111.148	C4	C2	H5	111.148
H6	C3	H8	108.600	H6	C3	H10	108.580
H7	C4	H9	108.600	H7	C4	H11	108.580
H8	C3	H10	108.574	H9	C4	H11	108.574

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

using model chemistry: CCD/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: CCD/6-31G

States and conformations

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