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	hartrees
Energy at 0K	-617.682064
Energy at 298.15K	-617.691802
Nuclear repulsion energy	239.262247

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3065	3033	29.62
2	A	3045	3014	45.76
3	A	3038	3007	6.08
4	A	2974	2943	30.78
5	A	2965	2934	14.76
6	A	1485	1469	9.12
7	A	1464	1449	7.56
8	A	1450	1435	0.67
9	A	1393	1378	3.46
10	A	1365	1351	18.90
11	A	1229	1216	8.93
12	A	1144	1132	70.74
13	A	1023	1012	0.06
14	A	910	901	0.12
15	A	799	791	10.82
16	A	551	546	33.24
17	A	394	390	0.46
18	A	361	357	5.80
19	A	292	289	0.71
20	A	285	282	0.09
21	A	3065	3033	29.76
22	A	3060	3028	0.00
23	A	3039	3007	5.80
24	A	2966	2935	14.97
25	A	1464	1449	7.81
26	A	1451	1436	0.35
27	A	1433	1418	0.01
28	A	1365	1350	18.71
29	A	1229	1217	9.06
30	A	1024	1013	0.07
31	A	946	936	0.00
32	A	912	902	0.11
33	A	394	390	0.46
34	A	292	289	0.67
35	A	284	281	0.13
36	A	233	230	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.372	0.000	0.000
Cl2	-1.491	0.000	0.000
C3	0.815	1.461	0.000
C4	0.815	-0.731	1.265
C5	0.815	-0.731	-1.265
H6	1.917	1.513	0.000
H7	1.917	-0.760	1.308
H8	1.917	-0.760	-1.308
H9	0.447	1.989	0.892
H10	0.447	1.989	-0.892
H11	0.444	-1.766	1.277
H12	0.450	-0.221	2.168
H13	0.450	-0.221	-2.168
H14	0.444	-1.766	-1.277

	C1	Cl2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.8628	1.5265	1.5264	1.5264	2.1625	2.1622	2.1622	2.1807	2.1807	2.1804	2.1806	2.1806	2.1804
Cl2	1.8628		2.7294	2.7296	2.7296	3.7286	3.7286	3.7286	2.9159	2.9159	2.9143	2.9179	2.9179	2.9143
C3	1.5265	2.7294		2.5303	2.5303	1.1035	2.8030	2.8030	1.0997	1.0997	3.4899	2.7678	2.7678	3.4899
C4	1.5264	2.7296	2.5303		2.5297	2.8014	1.1034	2.7989	2.7694	3.4901	1.0997	1.0996	3.4897	2.7698
C5	1.5264	2.7296	2.5303	2.5297		2.8014	2.7989	1.1034	3.4901	2.7694	2.7698	3.4897	1.0996	1.0997
H6	2.1625	3.7286	1.1035	2.8014	2.8014		2.6221	2.6221	1.7844	1.7844	3.8146	3.1399	3.1399	3.8146
H7	2.1622	3.7286	2.8030	1.1034	2.7989	2.6221		2.6155	3.1449	3.8150	1.7841	1.7846	3.8112	3.1408
H8	2.1622	3.7286	2.8030	2.7989	1.1034	2.6221	2.6155		3.8150	3.1449	3.1408	3.8112	1.7846	1.7841
H9	2.1807	2.9159	1.0997	2.7694	3.4901	1.7844	3.1449	3.8150		1.7832	3.7742	2.5516	3.7739	4.3359
H10	2.1807	2.9159	1.0997	3.4901	2.7694	1.7844	3.8150	3.1449	1.7832		4.3359	3.7739	2.5516	3.7742
H11	2.1804	2.9143	3.4899	1.0997	2.7698	3.8146	1.7841	3.1408	3.7742	4.3359		1.7834	3.7758	2.5546
H12	2.1806	2.9179	2.7678	1.0996	3.4897	3.1399	1.7846	3.8112	2.5516	3.7739	1.7834		4.3359	3.7758
H13	2.1806	2.9179	2.7678	3.4897	1.0996	3.1399	3.8112	1.7846	3.7739	2.5516	3.7758	4.3359		1.7834
H14	2.1804	2.9143	3.4899	2.7698	1.0997	3.8146	3.1408	1.7841	4.3359	3.7742	2.5546	3.7758	1.7834

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H6	109.573	C1	C3	H9	111.235
C1	C3	H10	111.235	C1	C4	H7	109.560
C1	C4	H11	111.221	C1	C4	H12	111.231
C1	C5	H8	109.560	C1	C5	H13	111.231
C1	C5	H14	111.221	Cl2	C1	C3	106.861
Cl2	C1	C4	106.875	Cl2	C1	C5	106.875
C3	C1	C4	111.952	C3	C1	C5	111.952
C4	C1	C5	111.921	H6	C3	H9	108.176
H6	C3	H10	108.176	H7	C4	H11	108.160
H7	C4	H12	108.202	H8	C5	H13	108.202
H8	C5	H14	108.160	H9	C3	H10	108.343
H11	C4	H12	108.366	H13	C5	H14	108.366

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

using model chemistry: PBEPBE/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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Number	Element	Mulliken
1	C	-0.253
2	Cl	-0.087
3	C	-0.579
4	C	-0.579
5	C	-0.579
6	H	0.218
7	H	0.218
8	H	0.218
9	H	0.237
10	H	0.237
11	H	0.237
12	H	0.237
13	H	0.237
14	H	0.237

	x	y	z	Total
	2.448	-0.001	0.000	2.448
CHELPG
AIM
ESP

	x	y	z
x	10.241	-0.001	0.000
y	-0.001	8.216	0.000
z	0.000	0.000	8.213

<r²>	161.841
(<r²>)^1/2	12.722

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

using model chemistry: PBEPBE/6-311G*

States and conformations

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