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	hartrees
Energy at 0K	-577.422937
Energy at 298.15K	-577.430697
HF Energy	-577.102596
Nuclear repulsion energy	162.549435

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3204	2997	36.12
2	A'	3183	2977	14.26
3	A'	3167	2962	13.76
4	A'	3097	2897	22.46
5	A'	1590	1487	10.54
6	A'	1578	1476	8.25
7	A'	1521	1423	6.30
8	A'	1356	1268	46.85
9	A'	1264	1182	21.68
10	A'	1140	1066	12.77
11	A'	927	867	10.31
12	A'	597	558	38.44
13	A'	434	406	2.79
14	A'	345	323	2.72
15	A'	270	252	0.13
16	A"	3193	2986	13.85
17	A"	3166	2961	4.02
18	A"	3090	2890	10.83
19	A"	1574	1472	1.50
20	A"	1567	1465	3.28
21	A"	1505	1407	12.50
22	A"	1443	1350	2.12
23	A"	1206	1128	3.40
24	A"	1015	949	0.23
25	A"	1006	941	1.66
26	A"	322	302	2.15
27	A"	243	228	0.06

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.945	1.030	0.000
C2	0.609	-0.081	0.000
C3	0.609	-0.910	1.282
C4	0.609	-0.910	-1.282
H5	1.422	0.645	0.000
H6	1.522	-1.518	1.317
H7	1.522	-1.518	-1.317
H8	0.582	-0.271	2.169
H9	0.582	-0.271	-2.169
H10	-0.257	-1.581	1.309
H11	-0.257	-1.581	-1.309

	Cl1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
Cl1		1.9101	2.7969	2.7969	2.3985	3.7834	3.7834	2.9540	2.9540	3.0005	3.0005
C2	1.9101		1.5269	1.5269	1.0905	2.1528	2.1528	2.1770	2.1770	2.1707	2.1707
C3	2.7969	1.5269		2.5641	2.1738	1.0976	2.8214	1.0933	3.5094	1.0947	2.8131
C4	2.7969	1.5269	2.5641		2.1738	2.8214	1.0976	3.5094	1.0933	2.8131	1.0947
H5	2.3985	1.0905	2.1738	2.1738		2.5347	2.5347	2.4997	2.4997	3.0801	3.0801
H6	3.7834	2.1528	1.0976	2.8214	2.5347		2.6346	1.7787	3.8197	1.7798	3.1729
H7	3.7834	2.1528	2.8214	1.0976	2.5347	2.6346		3.8197	1.7787	3.1729	1.7798
H8	2.9540	2.1770	1.0933	3.5094	2.4997	1.7787	3.8197		4.3370	1.7764	3.8097
H9	2.9540	2.1770	3.5094	1.0933	2.4997	3.8197	1.7787	4.3370		3.8097	1.7764
H10	3.0005	2.1707	1.0947	2.8131	3.0801	1.7798	3.1729	1.7764	3.8097		2.6188
H11	3.0005	2.1707	2.8131	1.0947	3.0801	3.1729	1.7798	3.8097	1.7764	2.6188

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	108.415	Cl1	C2	C4	108.415
Cl1	C3	H5	56.024	C2	C3	H6	109.126
C2	C3	H8	111.291	C2	C3	H10	110.702
C2	C4	H7	109.126	C2	C4	H9	111.291
C2	C4	H11	110.702	C3	C2	C4	114.200
C3	C2	H5	111.206	C4	C2	H5	111.206
H6	C3	H8	108.555	H6	C3	H10	108.547
H7	C4	H9	108.555	H7	C4	H11	108.547
H8	C3	H10	108.552	H9	C4	H11	108.552

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-)