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	hartrees
Energy at 0K	-577.661923
Energy at 298.15K	-577.669807
HF Energy	-577.169152
Nuclear repulsion energy	166.479835

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3258	3009	27.47
2	A'	3240	2993	38.02
3	A'	3216	2970	1.73
4	A'	3160	2919	17.71
5	A'	1595	1474	8.34
6	A'	1583	1462	6.46
7	A'	1517	1401	6.77
8	A'	1389	1283	40.95
9	A'	1261	1165	12.82
10	A'	1154	1066	15.14
11	A'	955	882	9.77
12	A'	682	630	29.08
13	A'	445	411	1.77
14	A'	358	330	1.25
15	A'	288	266	0.10
16	A"	3254	3005	12.65
17	A"	3232	2986	1.99
18	A"	3155	2914	12.21
19	A"	1575	1455	0.79
20	A"	1571	1451	2.10
21	A"	1505	1390	10.91
22	A"	1442	1332	0.53
23	A"	1217	1124	1.85
24	A"	1012	934	0.04
25	A"	993	917	1.49
26	A"	342	316	1.72
27	A"	258	239	0.03

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.879	1.019	0.000
C2	0.562	-0.066	0.000
C3	0.562	-0.903	1.265
C4	0.562	-0.903	-1.265
H5	1.416	0.608	0.000
H6	1.455	-1.529	1.286
H7	1.455	-1.529	-1.286
H8	0.560	-0.274	2.153
H9	0.560	-0.274	-2.153
H10	-0.314	-1.548	1.297
H11	-0.314	-1.548	-1.297

	Cl1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
Cl1		1.8031	2.7143	2.7143	2.3309	3.6866	3.6866	2.8939	2.8939	2.9311	2.9311
C2	1.8031		1.5169	1.5169	1.0872	2.1433	2.1433	2.1628	2.1628	2.1564	2.1564
C3	2.7143	1.5169		2.5302	2.1471	1.0909	2.7747	1.0879	3.4753	1.0892	2.7841
C4	2.7143	1.5169	2.5302		2.1471	2.7747	1.0909	3.4753	1.0879	2.7841	1.0892
H5	2.3309	1.0872	2.1471	2.1471		2.4944	2.4944	2.4785	2.4785	3.0537	3.0537
H6	3.6866	2.1433	1.0909	2.7747	2.4944		2.5724	1.7685	3.7687	1.7693	3.1313
H7	3.6866	2.1433	2.7747	1.0909	2.4944	2.5724		3.7687	1.7685	3.1313	1.7693
H8	2.8939	2.1628	1.0879	3.4753	2.4785	1.7685	3.7687		4.3056	1.7669	3.7806
H9	2.8939	2.1628	3.4753	1.0879	2.4785	3.7687	1.7685	4.3056		3.7806	1.7669
H10	2.9311	2.1564	1.0892	2.7841	3.0537	1.7693	3.1313	1.7669	3.7806		2.5946
H11	2.9311	2.1564	2.7841	1.0892	3.0537	3.1313	1.7693	3.7806	1.7669	2.5946

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	109.377	Cl1	C2	C4	109.377
Cl1	C3	H5	55.844	C2	C3	H6	109.458
C2	C3	H8	111.193	C2	C3	H10	110.602
C2	C4	H7	109.458	C2	C4	H9	111.193
C2	C4	H11	110.602	C3	C2	C4	113.022
C3	C2	H5	109.980	C4	C2	H5	109.980
H6	C3	H8	108.523	H6	C3	H10	108.497
H7	C4	H9	108.523	H7	C4	H11	108.497
H8	C3	H10	108.500	H9	C4	H11	108.500

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

using model chemistry: CID/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: CID/6-31G*

States and conformations

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