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	hartrees
Energy at 0K	-617.740132
Energy at 298.15K	-617.750053
HF Energy	-617.740132
Nuclear repulsion energy	240.924428

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3149	3006	38.52
2	A₁	3066	2928	25.64
3	A₁	1517	1448	10.09
4	A₁	1433	1368	4.33
5	A₁	1184	1131	71.62
6	A₁	835	797	12.04
7	A₁	586	559	33.44
8	A₁	376	359	4.18
9	A₂	3164	3021	0.00
10	A₂	1469	1403	0.00
11	A₂	971	928	0.00
12	A₂	240	229	0.00
13	E	3167	3024	22.93
13	E	3167	3024	22.91
14	E	3143	3001	4.45
14	E	3143	3001	4.45
15	E	3059	2921	16.64
15	E	3059	2921	16.64
16	E	1500	1432	8.17
16	E	1500	1432	8.17
17	E	1484	1417	0.46
17	E	1484	1417	0.46
18	E	1406	1343	20.33
18	E	1406	1343	20.33
19	E	1272	1215	6.36
19	E	1272	1215	6.35
20	E	1054	1006	0.03
20	E	1054	1006	0.03
21	E	941	899	0.20
21	E	941	899	0.20
22	E	409	390	0.64
22	E	409	390	0.64
23	E	304	290	0.77
23	E	304	290	0.77
24	E	291	278	0.07
24	E	291	278	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.359
Cl2	0.000	0.000	1.478
C3	0.000	1.453	-0.810
C4	1.258	-0.726	-0.810
C5	-1.258	-0.726	-0.810
H6	0.000	1.492	-1.906
H7	1.292	-0.746	-1.906
H8	-1.292	-0.746	-1.906
H9	0.887	1.978	-0.446
H10	-0.887	1.978	-0.446
H11	1.269	-1.757	-0.446
H12	2.156	-0.220	-0.446
H13	-2.156	-0.220	-0.446
H14	-1.269	-1.757	-0.446

	C1	Cl2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.8367	1.5213	1.5213	1.5213	2.1492	2.1492	2.1492	2.1694	2.1694	2.1694	2.1694	2.1694	2.1694
Cl2	1.8367		2.7102	2.7102	2.7102	3.6980	3.6980	3.6980	2.8984	2.8984	2.8984	2.8984	2.8984	2.8984
C3	1.5213	2.7102		2.5164	2.5164	1.0965	2.7757	2.7757	1.0933	1.0933	3.4710	2.7536	2.7536	3.4710
C4	1.5213	2.7102	2.5164		2.5164	2.7757	1.0965	2.7757	2.7536	3.4710	1.0933	1.0933	3.4710	2.7536
C5	1.5213	2.7102	2.5164	2.5164		2.7757	2.7757	1.0965	3.4710	2.7536	2.7536	3.4710	1.0933	1.0933
H6	2.1492	3.6980	1.0965	2.7757	2.7757		2.5841	2.5841	1.7759	1.7759	3.7814	3.1166	3.1166	3.7814
H7	2.1492	3.6980	2.7757	1.0965	2.7757	2.5841		2.5841	3.1166	3.7814	1.7759	1.7759	3.7814	3.1166
H8	2.1492	3.6980	2.7757	2.7757	1.0965	2.5841	2.5841		3.7814	3.1166	3.1166	3.7814	1.7759	1.7759
H9	2.1694	2.8984	1.0933	2.7536	3.4710	1.7759	3.1166	3.7814		1.7746	3.7545	2.5383	3.7545	4.3129
H10	2.1694	2.8984	1.0933	3.4710	2.7536	1.7759	3.7814	3.1166	1.7746		4.3129	3.7545	2.5383	3.7545
H11	2.1694	2.8984	3.4710	1.0933	2.7536	3.7814	1.7759	3.1166	3.7545	4.3129		1.7746	3.7545	2.5383
H12	2.1694	2.8984	2.7536	1.0933	3.4710	3.1166	1.7759	3.7814	2.5383	3.7545	1.7746		4.3129	3.7545
H13	2.1694	2.8984	2.7536	3.4710	1.0933	3.1166	3.7814	1.7759	3.7545	2.5383	3.7545	4.3129		1.7746
H14	2.1694	2.8984	3.4710	2.7536	1.0933	3.7814	3.1166	1.7759	4.3129	3.7545	2.5383	3.7545	1.7746

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H6	109.298	C1	C3	H9	111.089
C1	C3	H10	111.089	C1	C4	H7	109.298
C1	C4	H11	111.089	C1	C4	H12	111.089
C1	C5	H8	109.298	C1	C5	H13	111.089
C1	C5	H14	111.089	Cl2	C1	C3	107.254
Cl2	C1	C4	107.254	Cl2	C1	C5	107.254
C3	C1	C4	111.594	C3	C1	C5	111.594
C4	C1	C5	111.594	H6	C3	H9	108.391
H6	C3	H10	108.391	H7	C4	H11	108.391
H7	C4	H12	108.391	H8	C5	H13	108.391
H8	C5	H14	108.391	H9	C3	H10	108.504
H11	C4	H12	108.504	H13	C5	H14	108.504

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

using model chemistry: HSEh1PBE/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	0.142
2	Cl	-0.105
3	C	-0.549
4	C	-0.549
5	C	-0.549
6	H	0.170
7	H	0.170
8	H	0.170
9	H	0.183
10	H	0.183
11	H	0.183
12	H	0.183
13	H	0.183
14	H	0.183

	x	y	z
x	8.553	0.000	0.000
y	0.000	8.553	-0.000
z	0.000	-0.000	10.078

<r²>	159.754
(<r²>)^1/2	12.639

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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