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	hartrees
Energy at 0K	-614.680738
Energy at 298.15K	-614.690719
HF Energy	-614.680738
Nuclear repulsion energy	238.534229

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3152	3036	19.44
2	A₁	3073	2961	19.12
3	A₁	1573	1515	13.23
4	A₁	1478	1424	5.53
5	A₁	1221	1176	92.52
6	A₁	830	800	12.56
7	A₁	564	543	34.98
8	A₁	369	355	6.18
9	A₂	3170	3054	0.00
10	A₂	1526	1470	0.00
11	A₂	1021	984	0.00
12	A₂	257	247	0.00
13	E	3175	3058	14.87
13	E	3175	3058	14.88
14	E	3145	3030	3.91
14	E	3145	3030	3.91
15	E	3066	2954	6.54
15	E	3066	2954	6.54
16	E	1556	1499	9.74
16	E	1556	1499	9.74
17	E	1541	1485	1.50
17	E	1541	1485	1.50
18	E	1453	1400	28.76
18	E	1453	1400	28.76
19	E	1302	1254	16.80
19	E	1302	1254	16.78
20	E	1086	1046	0.00
20	E	1086	1046	0.00
21	E	966	931	0.74
21	E	966	931	0.74
22	E	406	391	0.35
22	E	406	391	0.35
23	E	302	291	1.28
23	E	302	291	1.28
24	E	294	283	0.22
24	E	294	283	0.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.402
Cl2	0.000	0.000	1.510
C3	0.000	1.460	-0.824
C4	1.264	-0.730	-0.824
C5	-1.264	-0.730	-0.824
H6	0.000	1.513	-1.921
H7	1.310	-0.756	-1.921
H8	-1.310	-0.756	-1.921
H9	0.890	1.970	-0.445
H10	-0.890	1.970	-0.445
H11	1.261	-1.756	-0.445
H12	2.151	-0.214	-0.445
H13	-2.151	-0.214	-0.445
H14	-1.261	-1.756	-0.445

	C1	Cl2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.9121	1.5192	1.5192	1.5192	2.1434	2.1434	2.1434	2.1622	2.1622	2.1622	2.1622	2.1622	2.1622
Cl2	1.9121		2.7525	2.7525	2.7525	3.7492	3.7492	3.7492	2.9145	2.9145	2.9145	2.9145	2.9145	2.9145
C3	1.5192	2.7525		2.5280	2.5280	1.0981	2.7982	2.7982	1.0939	1.0939	3.4746	2.7518	2.7518	3.4746
C4	1.5192	2.7525	2.5280		2.5280	2.7982	1.0981	2.7982	2.7518	3.4746	1.0939	1.0939	3.4746	2.7518
C5	1.5192	2.7525	2.5280	2.5280		2.7982	2.7982	1.0981	3.4746	2.7518	2.7518	3.4746	1.0939	1.0939
H6	2.1434	3.7492	1.0981	2.7982	2.7982		2.6202	2.6202	1.7830	1.7830	3.8016	3.1285	3.1285	3.8016
H7	2.1434	3.7492	2.7982	1.0981	2.7982	2.6202		2.6202	3.1285	3.8016	1.7831	1.7831	3.8016	3.1285
H8	2.1434	3.7492	2.7982	2.7982	1.0981	2.6202	2.6202		3.8016	3.1285	3.1285	3.8016	1.7831	1.7831
H9	2.1622	2.9145	1.0939	2.7518	3.4746	1.7830	3.1285	3.8016		1.7803	3.7444	2.5220	3.7444	4.3024
H10	2.1622	2.9145	1.0939	3.4746	2.7518	1.7830	3.8016	3.1285	1.7803		4.3024	3.7444	2.5220	3.7444
H11	2.1622	2.9145	3.4746	1.0939	2.7518	3.8016	1.7831	3.1285	3.7444	4.3024		1.7803	3.7444	2.5220
H12	2.1622	2.9145	2.7518	1.0939	3.4746	3.1285	1.7831	3.8016	2.5220	3.7444	1.7803		4.3024	3.7444
H13	2.1622	2.9145	2.7518	3.4746	1.0939	3.1285	3.8016	1.7831	3.7444	2.5220	3.7444	4.3024		1.7803
H14	2.1622	2.9145	3.4746	2.7518	1.0939	3.8016	3.1285	1.7831	4.3024	3.7444	2.5220	3.7444	1.7803

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H6	108.890	C1	C3	H9	110.623
C1	C3	H10	110.623	C1	C4	H7	108.890
C1	C4	H11	110.623	C1	C4	H12	110.623
C1	C5	H8	108.890	C1	C5	H13	110.623
C1	C5	H14	110.623	Cl2	C1	C3	106.111
Cl2	C1	C4	106.111	Cl2	C1	C5	106.111
C3	C1	C4	112.612	C3	C1	C5	112.612
C4	C1	C5	112.612	H6	C3	H9	108.868
H6	C3	H10	108.868	H7	C4	H11	108.868
H7	C4	H12	108.868	H8	C5	H13	108.868
H8	C5	H14	108.868	H9	C3	H10	108.930
H11	C4	H12	108.930	H13	C5	H14	108.930

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

using model chemistry: HSEh1PBE/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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All results from a given calculation for CH3CCl(CH3)CH3 (Propane, 2-chloro-2-methyl-)

using model chemistry: HSEh1PBE/3-21G

States and conformations

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