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	hartrees
Energy at 0K	-577.917049
Energy at 298.15K	-577.924830
HF Energy	-577.189817
Nuclear repulsion energy	166.195277

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3202	3033	16.05
2	A'	3184	3016	25.76
3	A'	3151	2985	2.69
4	A'	3099	2936	13.18
5	A'	1540	1459	6.00
6	A'	1527	1446	6.30
7	A'	1454	1377	5.01
8	A'	1326	1256	35.67
9	A'	1213	1149	13.58
10	A'	1106	1048	13.22
11	A'	927	878	8.73
12	A'	669	634	22.01
13	A'	427	404	1.41
14	A'	342	324	1.10
15	A'	279	264	0.12
16	A"	3198	3029	8.15
17	A"	3178	3010	1.00
18	A"	3096	2932	8.94
19	A"	1519	1439	0.66
20	A"	1515	1435	1.44
21	A"	1441	1365	8.67
22	A"	1388	1315	0.91
23	A"	1176	1114	1.88
24	A"	974	923	0.00
25	A"	954	904	1.24
26	A"	329	312	1.42
27	A"	248	235	0.02

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.885	1.014	0.000
C2	0.567	-0.060	0.000
C3	0.567	-0.901	1.268
C4	0.567	-0.901	-1.268
H5	1.417	0.622	0.000
H6	1.463	-1.526	1.291
H7	1.463	-1.526	-1.291
H8	0.558	-0.271	2.158
H9	0.558	-0.271	-2.158
H10	-0.310	-1.551	1.294
H11	-0.310	-1.551	-1.294

	Cl1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11
Cl1		1.8054	2.7169	2.7169	2.3349	3.6922	3.6922	2.8966	2.8966	2.9302	2.9302
C2	1.8054		1.5214	1.5214	1.0901	2.1495	2.1495	2.1680	2.1680	2.1602	2.1602
C3	2.7169	1.5214		2.5354	2.1564	1.0933	2.7821	1.0901	3.4827	1.0916	2.7845
C4	2.7169	1.5214	2.5354		2.1564	2.7821	1.0933	3.4827	1.0901	2.7845	1.0916
H5	2.3349	1.0901	2.1564	2.1564		2.5066	2.5066	2.4883	2.4883	3.0626	3.0626
H6	3.6922	2.1495	1.0933	2.7821	2.5066		2.5813	1.7735	3.7795	1.7732	3.1345
H7	3.6922	2.1495	2.7821	1.0933	2.5066	2.5813		3.7795	1.7735	3.1345	1.7732
H8	2.8966	2.1680	1.0901	3.4827	2.4883	1.7735	3.7795		4.3153	1.7711	3.7822
H9	2.8966	2.1680	3.4827	1.0901	2.4883	3.7795	1.7735	4.3153		3.7822	1.7711
H10	2.9302	2.1602	1.0916	2.7845	3.0626	1.7732	3.1345	1.7711	3.7822		2.5880
H11	2.9302	2.1602	2.7845	1.0916	3.0626	3.1345	1.7732	3.7822	1.7711	2.5880

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	C2	C3	109.206	Cl1	C2	C4	109.206
Cl1	C3	H5	55.838	C2	C3	H6	109.496
C2	C3	H8	111.160	C2	C3	H10	110.447
C2	C4	H7	109.496	C2	C4	H9	111.160
C2	C4	H11	110.447	C3	C2	C4	112.866
C3	C2	H5	110.231	C4	C2	H5	110.231
H6	C3	H8	108.629	H6	C3	H10	108.503
H7	C4	H9	108.629	H7	C4	H11	108.503
H8	C3	H10	108.543	H9	C4	H11	108.543

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

using model chemistry: CCD/6-31G(2df,p)

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(2df,p)

States and conformations

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