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	hartrees
Energy at 0K	-615.005884
Energy at 298.15K	-615.015893
HF Energy	-615.005884
Nuclear repulsion energy	240.160068

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3132	2966	13.43
2	A₁	3054	2893	16.67
3	A₁	1575	1492	12.94
4	A₁	1485	1406	5.44
5	A₁	1229	1164	74.06
6	A₁	831	787	11.46
7	A₁	579	548	32.14
8	A₁	381	361	3.81
9	A₂	3152	2985	0.00
10	A₂	1534	1453	0.00
11	A₂	1023	969	0.00
12	A₂	250	237	0.00
13	E	3155	2989	12.12
13	E	3155	2989	12.17
14	E	3126	2961	4.37
14	E	3126	2961	4.23
15	E	3048	2887	4.91
15	E	3048	2887	4.90
16	E	1561	1478	10.88
16	E	1561	1478	10.83
17	E	1546	1464	0.91
17	E	1546	1464	0.89
18	E	1458	1381	22.73
18	E	1458	1381	22.71
19	E	1289	1221	9.89
19	E	1289	1221	9.88
20	E	1089	1032	0.00
20	E	1089	1032	0.01
21	E	964	913	0.78
21	E	964	913	0.83
22	E	411	389	0.33
22	E	411	389	0.34
23	E	312	295	0.88
23	E	312	295	0.87
24	E	294	278	0.07
24	E	294	278	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.353
Cl2	0.000	0.000	1.483
C3	0.000	1.460	-0.816
C4	1.265	-0.730	-0.816
C5	-1.265	-0.730	-0.816
H6	0.000	1.486	-1.911
H7	1.287	-0.743	-1.911
H8	-1.287	-0.743	-1.911
H9	0.890	1.977	-0.447
H10	-0.890	1.977	-0.447
H11	1.267	-1.759	-0.447
H12	2.157	-0.218	-0.447
H13	-2.157	-0.218	-0.447
H14	-1.267	-1.759	-0.447

	C1	Cl2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.8366	1.5319	1.5319	1.5319	2.1535	2.1535	2.1535	2.1704	2.1704	2.1704	2.1704	2.1704	2.1704
Cl2	1.8366		2.7237	2.7237	2.7237	3.7060	3.7060	3.7060	2.9032	2.9032	2.9032	2.9032	2.9032	2.9032
C3	1.5319	2.7237		2.5296	2.5296	1.0961	2.7774	2.7774	1.0933	1.0933	3.4799	2.7581	2.7581	3.4799
C4	1.5319	2.7237	2.5296		2.5296	2.7774	1.0961	2.7774	2.7581	3.4799	1.0933	1.0933	3.4799	2.7581
C5	1.5319	2.7237	2.5296	2.5296		2.7774	2.7774	1.0961	3.4799	2.7581	2.7581	3.4799	1.0933	1.0933
H6	2.1535	3.7060	1.0961	2.7774	2.7774		2.5746	2.5746	1.7826	1.7826	3.7798	3.1151	3.1151	3.7798
H7	2.1535	3.7060	2.7774	1.0961	2.7774	2.5746		2.5746	3.1151	3.7798	1.7826	1.7826	3.7798	3.1151
H8	2.1535	3.7060	2.7774	2.7774	1.0961	2.5746	2.5746		3.7798	3.1151	3.1151	3.7798	1.7826	1.7826
H9	2.1704	2.9032	1.0933	2.7581	3.4799	1.7826	3.1151	3.7798		1.7800	3.7558	2.5348	3.7558	4.3149
H10	2.1704	2.9032	1.0933	3.4799	2.7581	1.7826	3.7798	3.1151	1.7800		4.3149	3.7558	2.5348	3.7558
H11	2.1704	2.9032	3.4799	1.0933	2.7581	3.7798	1.7826	3.1151	3.7558	4.3149		1.7800	3.7558	2.5348
H12	2.1704	2.9032	2.7581	1.0933	3.4799	3.1151	1.7826	3.7798	2.5348	3.7558	1.7800		4.3149	3.7558
H13	2.1704	2.9032	2.7581	3.4799	1.0933	3.1151	3.7798	1.7826	3.7558	2.5348	3.7558	4.3149		1.7800
H14	2.1704	2.9032	3.4799	2.7581	1.0933	3.7798	3.1151	1.7826	4.3149	3.7558	2.5348	3.7558	1.7800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H6	108.929	C1	C3	H9	110.424
C1	C3	H10	110.424	C1	C4	H7	108.929
C1	C4	H11	110.424	C1	C4	H12	110.424
C1	C5	H8	108.929	C1	C5	H13	110.424
C1	C5	H14	110.424	Cl2	C1	C3	107.569
Cl2	C1	C4	107.569	Cl2	C1	C5	107.569
C3	C1	C4	111.305	C3	C1	C5	111.305
C4	C1	C5	111.305	H6	C3	H9	109.019
H6	C3	H10	109.019	H7	C4	H11	109.019
H7	C4	H12	109.019	H8	C5	H13	109.019
H8	C5	H14	109.019	H9	C3	H10	108.996
H11	C4	H12	108.996	H13	C5	H14	108.996

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

using model chemistry: M06-2X/3-21G*

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	-0.293
2	Cl	-0.065
3	C	-0.511
4	C	-0.511
5	C	-0.511
6	H	0.200
7	H	0.200
8	H	0.200
9	H	0.215
10	H	0.215
11	H	0.215
12	H	0.215
13	H	0.215
14	H	0.215

	x	y	z
x	6.697	0.000	0.000
y	0.000	6.691	0.002
z	0.000	0.002	8.607

<r²>	160.456
(<r²>)^1/2	12.667

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

using model chemistry: M06-2X/3-21G*

States and conformations

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