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	hartrees
Energy at 0K	-610.990388
Energy at 298.15K	-610.999568
Nuclear repulsion energy	233.603587

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3372	3120	1.24
2	A	3212	2972	1.08
3	A	1637	1515	5.56
4	A	1530	1415	0.02
5	A	1259	1165	76.11
6	A	836	773	6.67
7	A	612	566	12.30
8	A	356	329	2.29
9	A	3386	3133	0.00
10	A	1614	1493	0.00
11	A	1027	950	0.00
12	A	205	190	0.00
13	A	3389	3136	0.95
13	A	3389	3136	0.95
14	A	3369	3117	0.39
14	A	3369	3117	0.39
15	A	3211	2971	0.59
15	A	3211	2971	0.59
16	A	1627	1505	2.88
16	A	1627	1505	2.88
17	A	1623	1501	0.19
17	A	1623	1501	0.19
18	A	1505	1393	1.35
18	A	1505	1393	1.35
19	A	1310	1212	23.26
19	A	1310	1212	23.26
20	A	1089	1007	0.12
20	A	1089	1007	0.12
21	A	970	897	0.40
21	A	970	897	0.40
22	A	388	359	0.55
22	A	388	359	0.55
23	A	278	258	1.44
23	A	278	258	1.44
24	A	237	220	0.02
24	A	237	220	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.375
Cl2	0.000	0.000	1.531
C3	0.000	1.505	-0.841
C4	1.303	-0.752	-0.841
C5	-1.303	-0.752	-0.841
H6	0.000	1.545	-1.950
H7	1.338	-0.772	-1.950
H8	-1.338	-0.772	-1.950
H9	0.902	2.026	-0.464
H10	-0.902	2.026	-0.464
H11	1.304	-1.794	-0.464
H12	2.206	-0.232	-0.464
H13	-2.206	-0.232	-0.464
H14	-1.304	-1.794	-0.464

	C1	Cl2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.9061	1.5749	1.5749	1.5749	2.2060	2.2060	2.2060	2.2198	2.2198	2.2198	2.2198	2.2198	2.2198
Cl2	1.9061		2.8085	2.8085	2.8085	3.8083	3.8083	3.8083	2.9831	2.9831	2.9831	2.9831	2.9831	2.9831
C3	1.5749	2.8085		2.6061	2.6061	1.1102	2.8645	2.8645	1.1079	1.1079	3.5672	2.8326	2.8326	3.5672
C4	1.5749	2.8085	2.6061		2.6061	2.8645	1.1102	2.8645	2.8326	3.5672	1.1079	1.1079	3.5672	2.8326
C5	1.5749	2.8085	2.6061	2.6061		2.8645	2.8645	1.1102	3.5672	2.8326	2.8326	3.5672	1.1079	1.1079
H6	2.2060	3.8083	1.1102	2.8645	2.8645		2.6756	2.6756	1.8038	1.8038	3.8804	3.1987	3.1987	3.8804
H7	2.2060	3.8083	2.8645	1.1102	2.8645	2.6756		2.6756	3.1987	3.8804	1.8038	1.8038	3.8804	3.1987
H8	2.2060	3.8083	2.8645	2.8645	1.1102	2.6756	2.6756		3.8804	3.1987	3.1987	3.8804	1.8038	1.8038
H9	2.2198	2.9831	1.1079	2.8326	3.5672	1.8038	3.1987	3.8804		1.8038	3.8417	2.6079	3.8417	4.4117
H10	2.2198	2.9831	1.1079	3.5672	2.8326	1.8038	3.8804	3.1987	1.8038		4.4117	3.8417	2.6079	3.8417
H11	2.2198	2.9831	3.5672	1.1079	2.8326	3.8804	1.8038	3.1987	3.8417	4.4117		1.8038	3.8417	2.6079
H12	2.2198	2.9831	2.8326	1.1079	3.5672	3.1987	1.8038	3.8804	2.6079	3.8417	1.8038		4.4117	3.8417
H13	2.2198	2.9831	2.8326	3.5672	1.1079	3.1987	3.8804	1.8038	3.8417	2.6079	3.8417	4.4117		1.8038
H14	2.2198	2.9831	3.5672	2.8326	1.1079	3.8804	3.1987	1.8038	4.4117	3.8417	2.6079	3.8417	1.8038

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H6	109.259	C1	C3	H9	110.456
C1	C3	H10	110.456	C1	C4	H7	109.259
C1	C4	H11	110.456	C1	C4	H12	110.456
C1	C5	H8	109.259	C1	C5	H13	110.456
C1	C5	H14	110.456	Cl2	C1	C3	107.186
Cl2	C1	C4	107.186	Cl2	C1	C5	107.186
C3	C1	C4	111.657	C3	C1	C5	111.657
C4	C1	C5	111.657	H6	C3	H9	108.822
H6	C3	H10	108.822	H7	C4	H11	108.822
H7	C4	H12	108.822	H8	C5	H13	108.822
H8	C5	H14	108.822	H9	C3	H10	108.988
H11	C4	H12	108.988	H13	C5	H14	108.988

All results from a given calculation for CH₃CCl(CH₃)CH₃ (Propane, 2-chloro-2-methyl-)

using model chemistry: BLYP/STO-3G

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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Number	Element	Mulliken
1	C	0.073
2	Cl	-0.195
3	C	-0.210
4	C	-0.210
5	C	-0.210
6	H	0.079
7	H	0.079
8	H	0.079
9	H	0.086
10	H	0.086
11	H	0.086
12	H	0.086
13	H	0.086
14	H	0.086

<r²>	166.660
(<r²>)^1/2	12.910

All results from a given calculation for CH3CCl(CH3)CH3 (Propane, 2-chloro-2-methyl-)

using model chemistry: BLYP/STO-3G

States and conformations

All results from a given calculation for CH₃CCl(CH₃)CH₃ (Propane, 2-chloro-2-methyl-)