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	hartrees
Energy at 0K	-616.295594
Energy at 298.15K	-616.305816
HF Energy	-616.295594
Nuclear repulsion energy	241.637263

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3237	2934	56.88
2	A₁	3174	2877	43.82
3	A₁	1634	1481	5.03
4	A₁	1559	1413	1.39
5	A₁	1285	1165	73.52
6	A₁	867	786	18.65
7	A₁	608	551	42.27
8	A₁	394	357	5.62
9	A₂	3249	2945	0.00
10	A₂	1590	1441	0.00
11	A₂	1056	957	0.00
12	A₂	246	223	0.00
13	E	3255	2951	40.06
13	E	3255	2951	40.06
14	E	3227	2925	8.01
14	E	3227	2925	8.01
15	E	3163	2867	16.51
15	E	3163	2867	16.51
16	E	1615	1464	6.77
16	E	1615	1464	6.77
17	E	1604	1454	0.11
17	E	1604	1454	0.11
18	E	1533	1390	8.67
18	E	1533	1390	8.67
19	E	1363	1236	4.59
19	E	1363	1236	4.59
20	E	1140	1033	0.00
20	E	1140	1033	0.00
21	E	1007	913	0.06
21	E	1007	913	0.06
22	E	433	393	0.66
22	E	433	393	0.66
23	E	320	290	0.80
23	E	320	290	0.80
24	E	307	278	0.03
24	E	307	278	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.322
Cl2	0.000	0.000	1.470
C3	0.000	1.420	-0.814
C4	1.229	-0.710	-0.814
C5	-1.229	-0.710	-0.814
H6	0.000	1.421	-1.868
H7	1.230	-0.710	-1.868
H8	-1.230	-0.710	-1.868
H9	0.858	1.933	-0.468
H10	-0.858	1.933	-0.468
H11	1.245	-1.709	-0.468
H12	2.103	-0.224	-0.468
H13	-2.103	-0.224	-0.468
H14	-1.245	-1.709	-0.468

	C1	Cl2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.7920	1.5026	1.5026	1.5026	2.0997	2.0997	2.0997	2.1200	2.1200	2.1200	2.1200	2.1200	2.1200
Cl2	1.7920		2.6896	2.6896	2.6896	3.6278	3.6278	3.6278	2.8688	2.8688	2.8688	2.8688	2.8688	2.8688
C3	1.5026	2.6896		2.4589	2.4589	1.0536	2.6759	2.6759	1.0579	1.0579	3.3855	2.6913	2.6913	3.3855
C4	1.5026	2.6896	2.4589		2.4589	2.6759	1.0536	2.6759	2.6913	3.3855	1.0579	1.0579	3.3855	2.6913
C5	1.5026	2.6896	2.4589	2.4589		2.6759	2.6759	1.0536	3.3855	2.6913	2.6913	3.3855	1.0579	1.0579
H6	2.0997	3.6278	1.0536	2.6759	2.6759		2.4606	2.4606	1.7198	1.7198	3.6478	3.0143	3.0143	3.6478
H7	2.0997	3.6278	2.6759	1.0536	2.6759	2.4606		2.4606	3.0143	3.6478	1.7198	1.7198	3.6478	3.0143
H8	2.0997	3.6278	2.6759	2.6759	1.0536	2.4606	2.4606		3.6478	3.0143	3.0143	3.6478	1.7198	1.7198
H9	2.1200	2.8688	1.0579	2.6913	3.3855	1.7198	3.0143	3.6478		1.7154	3.6631	2.4906	3.6631	4.2061
H10	2.1200	2.8688	1.0579	3.3855	2.6913	1.7198	3.6478	3.0143	1.7154		4.2061	3.6631	2.4906	3.6631
H11	2.1200	2.8688	3.3855	1.0579	2.6913	3.6478	1.7198	3.0143	3.6631	4.2061		1.7154	3.6631	2.4906
H12	2.1200	2.8688	2.6913	1.0579	3.3855	3.0143	1.7198	3.6478	2.4906	3.6631	1.7154		4.2061	3.6631
H13	2.1200	2.8688	2.6913	3.3855	1.0579	3.0143	3.6478	1.7198	3.6631	2.4906	3.6631	4.2061		1.7154
H14	2.1200	2.8688	3.3855	2.6913	1.0579	3.6478	3.0143	1.7198	4.2061	3.6631	2.4906	3.6631	1.7154

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H6	109.185	C1	C3	H9	110.571
C1	C3	H10	110.571	C1	C4	H7	109.185
C1	C4	H11	110.571	C1	C4	H12	110.571
C1	C5	H8	109.185	C1	C5	H13	110.571
C1	C5	H14	110.571	Cl2	C1	C3	109.133
Cl2	C1	C4	109.133	Cl2	C1	C5	109.133
C3	C1	C4	109.807	C3	C1	C5	109.807
C4	C1	C5	109.807	H6	C3	H9	109.070
H6	C3	H10	109.070	H7	C4	H11	109.070
H7	C4	H12	109.070	H8	C5	H13	109.070
H8	C5	H14	109.070	H9	C3	H10	108.342
H11	C4	H12	108.342	H13	C5	H14	108.342

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

using model chemistry: HF/Def2TZVPP

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	0.320
2	Cl	-0.258
3	C	-0.223
4	C	-0.223
5	C	-0.223
6	H	0.052
7	H	0.052
8	H	0.052
9	H	0.075
10	H	0.075
11	H	0.075
12	H	0.075
13	H	0.075
14	H	0.075

<r²>	159.150
(<r²>)^1/2	12.615

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

using model chemistry: HF/Def2TZVPP

States and conformations

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