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	hartrees
Energy at 0K	-618.087601
Energy at 298.15K	-618.097376
HF Energy	-618.087601
Nuclear repulsion energy	239.574160

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3120	3003	46.50
2	A₁	3045	2931	38.21
3	A₁	1533	1475	7.71
4	A₁	1442	1388	1.72
5	A₁	1179	1134	66.60
6	A₁	808	778	13.72
7	A₁	556	535	39.36
8	A₁	360	346	4.44
9	A₂	3139	3021	0.00
10	A₂	1488	1432	0.00
11	A₂	971	935	0.00
12	A₂	235	226	0.00
13	E	3143	3025	31.05
13	E	3143	3025	31.03
14	E	3115	2998	7.76
14	E	3115	2998	7.75
15	E	3037	2923	19.45
15	E	3037	2923	19.48
16	E	1515	1458	6.96
16	E	1515	1458	6.95
17	E	1503	1446	0.20
17	E	1503	1446	0.20
18	E	1414	1361	10.92
18	E	1414	1361	10.91
19	E	1263	1215	7.23
19	E	1263	1215	7.23
20	E	1052	1012	0.00
20	E	1052	1012	0.00
21	E	930	896	0.01
21	E	930	896	0.01
22	E	391	377	0.91
22	E	391	377	0.91
23	E	291	280	0.80
23	E	291	280	0.80
24	E	280	269	0.10
24	E	280	269	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.322
Cl2	0.000	0.000	1.476
C3	0.000	1.415	-0.818
C4	1.226	-0.708	-0.818
C5	-1.226	-0.708	-0.818
H6	0.000	1.412	-1.873
H7	1.223	-0.706	-1.873
H8	-1.223	-0.706	-1.873
H9	0.861	1.927	-0.470
H10	-0.861	1.927	-0.470
H11	1.239	-1.709	-0.470
H12	2.099	-0.218	-0.470
H13	-2.099	-0.218	-0.470
H14	-1.239	-1.709	-0.470

	C1	Cl2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.7972	1.4998	1.4998	1.4998	2.0976	2.0976	2.0976	2.1157	2.1157	2.1157	2.1157	2.1157	2.1157
Cl2	1.7972		2.6951	2.6951	2.6951	3.6341	3.6341	3.6341	2.8705	2.8705	2.8705	2.8705	2.8705	2.8705
C3	1.4998	2.6951		2.4514	2.4514	1.0551	2.6660	2.6660	1.0600	1.0600	3.3787	2.6826	2.6826	3.3787
C4	1.4998	2.6951	2.4514		2.4514	2.6660	1.0551	2.6660	2.6826	3.3787	1.0600	1.0600	3.3787	2.6826
C5	1.4998	2.6951	2.4514	2.4514		2.6660	2.6660	1.0551	3.3787	2.6826	2.6826	3.3787	1.0600	1.0600
H6	2.0976	3.6341	1.0551	2.6660	2.6660		2.4454	2.4454	1.7247	1.7247	3.6389	3.0053	3.0053	3.6389
H7	2.0976	3.6341	2.6660	1.0551	2.6660	2.4454		2.4454	3.0053	3.6389	1.7247	1.7247	3.6389	3.0053
H8	2.0976	3.6341	2.6660	2.6660	1.0551	2.4454	2.4454		3.6389	3.0053	3.0053	3.6389	1.7247	1.7247
H9	2.1157	2.8705	1.0600	2.6826	3.3787	1.7247	3.0053	3.6389		1.7213	3.6556	2.4771	3.6556	4.1985
H10	2.1157	2.8705	1.0600	3.3787	2.6826	1.7247	3.6389	3.0053	1.7213		4.1985	3.6556	2.4771	3.6556
H11	2.1157	2.8705	3.3787	1.0600	2.6826	3.6389	1.7247	3.0053	3.6556	4.1985		1.7213	3.6556	2.4771
H12	2.1157	2.8705	2.6826	1.0600	3.3787	3.0053	1.7247	3.6389	2.4771	3.6556	1.7213		4.1985	3.6556
H13	2.1157	2.8705	2.6826	3.3787	1.0600	3.0053	3.6389	1.7247	3.6556	2.4771	3.6556	4.1985		1.7213
H14	2.1157	2.8705	3.3787	2.6826	1.0600	3.6389	3.0053	1.7247	4.1985	3.6556	2.4771	3.6556	1.7213

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H6	109.136	C1	C3	H9	110.303
C1	C3	H10	110.303	C1	C4	H7	109.135
C1	C4	H11	110.303	C1	C4	H12	110.303
C1	C5	H8	109.135	C1	C5	H13	110.303
C1	C5	H14	110.303	Cl2	C1	C3	109.324
Cl2	C1	C4	109.324	Cl2	C1	C5	109.324
C3	C1	C4	109.618	C3	C1	C5	109.618
C4	C1	C5	109.618	H6	C3	H9	109.256
H6	C3	H10	109.256	H7	C4	H11	109.256
H7	C4	H12	109.256	H8	C5	H13	109.256
H8	C5	H14	109.256	H9	C3	H10	108.567
H11	C4	H12	108.567	H13	C5	H14	108.567

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

using model chemistry: TPSSh/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	0.330
2	Cl	-0.152
3	C	-0.560
4	C	-0.560
5	C	-0.560
6	H	0.158
7	H	0.158
8	H	0.158
9	H	0.172
10	H	0.172
11	H	0.172
12	H	0.172
13	H	0.172
14	H	0.172

	x	y	z
x	8.646	0.000	0.000
y	0.000	8.648	-0.000
z	0.000	-0.000	10.256

<r²>	161.339
(<r²>)^1/2	12.702

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

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

States and conformations

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