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	hartrees
Energy at 0K	-616.047559
Energy at 298.15K	-616.057325
Nuclear repulsion energy	241.997572

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3086	3039	13.95
2	A	3068	3022	26.58
3	A	3064	3018	2.90
4	A	2981	2937	18.29
5	A	2976	2931	12.82
6	A	1446	1425	13.93
7	A	1429	1408	8.50
8	A	1410	1389	1.21
9	A	1362	1341	9.43
10	A	1339	1319	38.93
11	A	1237	1219	3.33
12	A	1136	1119	70.66
13	A	1010	995	0.24
14	A	909	895	0.55
15	A	833	820	7.94
16	A	581	573	29.34
17	A	395	389	0.66
18	A	368	362	3.31
19	A	296	291	0.79
20	A	286	282	0.12
21	A	3085	3039	14.08
22	A	3083	3037	0.01
23	A	3064	3018	2.63
24	A	2976	2932	12.93
25	A	1429	1408	8.74
26	A	1410	1389	0.85
27	A	1393	1372	0.01
28	A	1338	1318	38.71
29	A	1238	1220	3.53
30	A	1012	997	0.25
31	A	924	911	0.00
32	A	910	897	0.53
33	A	395	389	0.66
34	A	296	292	0.70
35	A	287	282	0.20
36	A	232	228	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.358	0.000	0.000
Cl2	-1.469	0.000	0.000
C3	0.804	1.442	0.000
C4	0.804	-0.721	1.248
C5	0.804	-0.721	-1.248
H6	1.909	1.482	0.000
H7	1.909	-0.743	1.281
H8	1.909	-0.743	-1.281
H9	0.437	1.970	0.895
H10	0.437	1.970	-0.895
H11	0.435	-1.759	1.259
H12	0.439	-0.209	2.154
H13	0.439	-0.209	-2.154
H14	0.435	-1.759	-1.259

	C1	Cl2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.8265	1.5091	1.5091	1.5091	2.1450	2.1449	2.1449	2.1653	2.1653	2.1650	2.1651	2.1651	2.1650
Cl2	1.8265		2.6916	2.6915	2.6915	3.6883	3.6882	3.6882	2.8832	2.8832	2.8816	2.8842	2.8842	2.8816
C3	1.5091	2.6916		2.4969	2.4969	1.1054	2.7634	2.7634	1.1025	1.1025	3.4596	2.7377	2.7377	3.4596
C4	1.5091	2.6915	2.4969		2.4966	2.7622	1.1053	2.7605	2.7390	3.4599	1.1025	1.1025	3.4596	2.7392
C5	1.5091	2.6915	2.4969	2.4966		2.7622	2.7605	1.1053	3.4599	2.7390	2.7392	3.4596	1.1025	1.1025
H6	2.1450	3.6883	1.1054	2.7622	2.7622		2.5676	2.5676	1.7909	1.7909	3.7768	3.1076	3.1076	3.7768
H7	2.1449	3.6882	2.7634	1.1053	2.7605	2.5676		2.5630	3.1114	3.7773	1.7907	1.7911	3.7745	3.1083
H8	2.1449	3.6882	2.7634	2.7605	1.1053	2.5676	2.5630		3.7773	3.1114	3.1083	3.7745	1.7911	1.7907
H9	2.1653	2.8832	1.1025	2.7390	3.4599	1.7909	3.1114	3.7773		1.7899	3.7474	2.5164	3.7472	4.3071
H10	2.1653	2.8832	1.1025	3.4599	2.7390	1.7909	3.7773	3.1114	1.7899		4.3071	3.7472	2.5164	3.7474
H11	2.1650	2.8816	3.4596	1.1025	2.7392	3.7768	1.7907	3.1083	3.7474	4.3071		1.7901	3.7485	2.5185
H12	2.1651	2.8842	2.7377	1.1025	3.4596	3.1076	1.7911	3.7745	2.5164	3.7472	1.7901		4.3071	3.7485
H13	2.1651	2.8842	2.7377	3.4596	1.1025	3.1076	3.7745	1.7911	3.7472	2.5164	3.7485	4.3071		1.7901
H14	2.1650	2.8816	3.4596	2.7392	1.1025	3.7768	3.1083	1.7907	4.3071	3.7474	2.5185	3.7485	1.7901

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H6	109.282	C1	C3	H9	111.059
C1	C3	H10	111.059	C1	C4	H7	109.281
C1	C4	H11	111.040	C1	C4	H12	111.049
C1	C5	H8	109.281	C1	C5	H13	111.049
C1	C5	H14	111.040	Cl2	C1	C3	107.210
Cl2	C1	C4	107.208	Cl2	C1	C5	107.208
C3	C1	C4	111.642	C3	C1	C5	111.642
C4	C1	C5	111.624	H6	C3	H9	108.417
H6	C3	H10	108.417	H7	C4	H11	108.402
H7	C4	H12	108.439	H8	C5	H13	108.439
H8	C5	H14	108.402	H9	C3	H10	108.529
H11	C4	H12	108.554	H13	C5	H14	108.554

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

using model chemistry: LSDA/6-31+G**

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	-0.322
2	Cl	0.012
3	C	-0.503
4	C	-0.503
5	C	-0.503
6	H	0.194
7	H	0.194
8	H	0.194
9	H	0.206
10	H	0.206
11	H	0.206
12	H	0.206
13	H	0.206
14	H	0.206

	x	y	z	Total
	2.337	-0.000	0.000	2.337
CHELPG
AIM
ESP

	x	y	z
x	10.515	-0.000	0.000
y	-0.000	9.080	0.000
z	0.000	0.000	9.078

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31+G**

States and conformations

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