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	hartrees
Energy at 0K	-617.086425
Energy at 298.15K	-617.096549
HF Energy	-616.258355
Nuclear repulsion energy	242.100304

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3174	3006	39.93
2	A	3083	2920	18.31
3	A	1554	1472	10.36
4	A	1468	1390	4.34
5	A	1227	1162	62.38
6	A	864	818	9.73
7	A	623	590	20.51
8	A	386	365	2.03
9	A	3183	3015	0.00
10	A	1504	1425	0.00
11	A	995	942	0.00
12	A	254	240	0.00
13	A	3187	3019	22.07
13	A	3187	3019	22.07
14	A	3167	3000	3.00
14	A	3167	3000	3.00
15	A	3077	2914	13.26
15	A	3077	2914	13.26
16	A	1536	1455	9.14
16	A	1536	1455	9.14
17	A	1519	1439	0.45
17	A	1519	1439	0.45
18	A	1440	1364	21.26
18	A	1440	1364	21.26
19	A	1300	1231	5.32
19	A	1300	1231	5.32
20	A	1081	1024	0.14
20	A	1081	1024	0.14
21	A	968	917	0.41
21	A	968	917	0.41
22	A	419	396	0.39
22	A	419	396	0.39
23	A	317	301	0.16
23	A	317	301	0.16
24	A	311	295	0.35
24	A	311	295	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.349
Cl2	0.000	0.000	1.463
C3	0.000	1.450	-0.804
C4	1.256	-0.725	-0.804
C5	-1.256	-0.725	-0.804
H6	0.000	1.491	-1.897
H7	1.292	-0.746	-1.897
H8	-1.292	-0.746	-1.897
H9	0.885	1.973	-0.436
H10	-0.885	1.973	-0.436
H11	1.266	-1.753	-0.436
H12	2.151	-0.220	-0.436
H13	-2.151	-0.220	-0.436
H14	-1.266	-1.753	-0.436

	C1	Cl2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.8117	1.5201	1.5201	1.5201	2.1500	2.1500	2.1500	2.1641	2.1641	2.1641	2.1641	2.1641	2.1641
Cl2	1.8117		2.6911	2.6911	2.6911	3.6765	3.6765	3.6765	2.8779	2.8779	2.8779	2.8779	2.8779	2.8779
C3	1.5201	2.6911		2.5122	2.5122	1.0944	2.7726	2.7726	1.0917	1.0917	3.4641	2.7481	2.7481	3.4641
C4	1.5201	2.6911	2.5122		2.5122	2.7726	1.0944	2.7726	2.7481	3.4641	1.0917	1.0917	3.4641	2.7481
C5	1.5201	2.6911	2.5122	2.5122		2.7726	2.7726	1.0944	3.4641	2.7481	2.7481	3.4641	1.0917	1.0917
H6	2.1500	3.6765	1.0944	2.7726	2.7726		2.5832	2.5832	1.7750	1.7750	3.7768	3.1129	3.1129	3.7768
H7	2.1500	3.6765	2.7726	1.0944	2.7726	2.5832		2.5832	3.1129	3.7768	1.7750	1.7750	3.7768	3.1129
H8	2.1500	3.6765	2.7726	2.7726	1.0944	2.5832	2.5832		3.7768	3.1129	3.1129	3.7768	1.7750	1.7750
H9	2.1641	2.8779	1.0917	2.7481	3.4641	1.7750	3.1129	3.7768		1.7706	3.7452	2.5316	3.7452	4.3022
H10	2.1641	2.8779	1.0917	3.4641	2.7481	1.7750	3.7768	3.1129	1.7706		4.3022	3.7452	2.5316	3.7452
H11	2.1641	2.8779	3.4641	1.0917	2.7481	3.7768	1.7750	3.1129	3.7452	4.3022		1.7706	3.7452	2.5316
H12	2.1641	2.8779	2.7481	1.0917	3.4641	3.1129	1.7750	3.7768	2.5316	3.7452	1.7706		4.3022	3.7452
H13	2.1641	2.8779	2.7481	3.4641	1.0917	3.1129	3.7768	1.7750	3.7452	2.5316	3.7452	4.3022		1.7706
H14	2.1641	2.8779	3.4641	2.7481	1.0917	3.7768	3.1129	1.7750	4.3022	3.7452	2.5316	3.7452	1.7706

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H6	109.562	C1	C3	H9	110.838
C1	C3	H10	110.838	C1	C4	H7	109.562
C1	C4	H11	110.838	C1	C4	H12	110.838
C1	C5	H8	109.562	C1	C5	H13	110.838
C1	C5	H14	110.838	Cl2	C1	C3	107.418
Cl2	C1	C4	107.418	Cl2	C1	C5	107.418
C3	C1	C4	111.444	C3	C1	C5	111.444
C4	C1	C5	111.444	H6	C3	H9	108.579
H6	C3	H10	108.579	H7	C4	H11	108.579
H7	C4	H12	108.579	H8	C5	H13	108.579
H8	C5	H14	108.579	H9	C3	H10	108.380
H11	C4	H12	108.380	H13	C5	H14	108.380

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

using model chemistry: MP2=FULL/6-311G*

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 CH3CCl(CH3)CH3 (Propane, 2-chloro-2-methyl-)

using model chemistry: MP2=FULL/6-311G*

States and conformations

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