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	hartrees
Energy at 0K	-613.770252
Energy at 298.15K	-613.780333
HF Energy	-613.263726
Nuclear repulsion energy	239.229508

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3164	3010	30.11
2	A	3086	2935	14.12
3	A	1610	1531	10.64
4	A	1509	1436	2.83
5	A	1258	1197	60.54
6	A	815	775	11.59
7	A	581	553	23.92
8	A	378	360	3.10
9	A	3173	3019	0.00
10	A	1573	1496	0.00
11	A	1043	992	0.00
12	A	269	256	0.00
13	A	3178	3023	19.09
13	A	3178	3023	19.09
14	A	3157	3003	3.47
14	A	3157	3003	3.47
15	A	3081	2931	8.63
15	A	3081	2931	8.63
16	A	1594	1517	8.47
16	A	1594	1517	8.47
17	A	1585	1508	0.51
17	A	1585	1508	0.51
18	A	1485	1412	13.90
18	A	1485	1412	13.90
19	A	1301	1238	8.43
19	A	1301	1238	8.43
20	A	1109	1055	0.07
20	A	1109	1055	0.07
21	A	963	916	0.33
21	A	963	916	0.33
22	A	415	395	0.37
22	A	415	395	0.37
23	A	313	298	0.82
23	A	313	298	0.82
24	A	303	288	0.07
24	A	303	288	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.359
Cl2	0.000	0.000	1.488
C3	0.000	1.469	-0.818
C4	1.272	-0.735	-0.818
C5	-1.272	-0.735	-0.818
H6	0.000	1.499	-1.915
H7	1.298	-0.749	-1.915
H8	-1.298	-0.749	-1.915
H9	0.891	1.983	-0.445
H10	-0.891	1.983	-0.445
H11	1.272	-1.763	-0.445
H12	2.163	-0.220	-0.445
H13	-2.163	-0.220	-0.445
H14	-1.272	-1.763	-0.445

	C1	Cl2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.8470	1.5391	1.5391	1.5391	2.1601	2.1601	2.1601	2.1759	2.1759	2.1759	2.1759	2.1759	2.1759
Cl2	1.8470		2.7342	2.7342	2.7342	3.7179	3.7179	3.7179	2.9091	2.9091	2.9091	2.9091	2.9091	2.9091
C3	1.5391	2.7342		2.5445	2.5445	1.0968	2.7945	2.7945	1.0942	1.0942	3.4935	2.7697	2.7697	3.4935
C4	1.5391	2.7342	2.5445		2.5445	2.7945	1.0968	2.7945	2.7697	3.4935	1.0942	1.0942	3.4935	2.7697
C5	1.5391	2.7342	2.5445	2.5445		2.7945	2.7945	1.0968	3.4935	2.7697	2.7697	3.4935	1.0942	1.0942
H6	2.1601	3.7179	1.0968	2.7945	2.7945		2.5962	2.5962	1.7855	1.7855	3.7972	3.1295	3.1295	3.7972
H7	2.1601	3.7179	2.7945	1.0968	2.7945	2.5962		2.5962	3.1295	3.7972	1.7855	1.7855	3.7972	3.1295
H8	2.1601	3.7179	2.7945	2.7945	1.0968	2.5962	2.5962		3.7972	3.1295	3.1295	3.7972	1.7855	1.7855
H9	2.1759	2.9091	1.0942	2.7697	3.4935	1.7855	3.1295	3.7972		1.7815	3.7658	2.5445	3.7658	4.3260
H10	2.1759	2.9091	1.0942	3.4935	2.7697	1.7855	3.7972	3.1295	1.7815		4.3260	3.7658	2.5445	3.7658
H11	2.1759	2.9091	3.4935	1.0942	2.7697	3.7972	1.7855	3.1295	3.7658	4.3260		1.7815	3.7658	2.5445
H12	2.1759	2.9091	2.7697	1.0942	3.4935	3.1295	1.7855	3.7972	2.5445	3.7658	1.7815		4.3260	3.7658
H13	2.1759	2.9091	2.7697	3.4935	1.0942	3.1295	3.7972	1.7855	3.7658	2.5445	3.7658	4.3260		1.7815
H14	2.1759	2.9091	3.4935	2.7697	1.0942	3.7972	3.1295	1.7855	4.3260	3.7658	2.5445	3.7658	1.7815

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H6	108.911	C1	C3	H9	110.299
C1	C3	H10	110.299	C1	C4	H7	108.911
C1	C4	H11	110.299	C1	C4	H12	110.299
C1	C5	H8	108.911	C1	C5	H13	110.299
C1	C5	H14	110.299	Cl2	C1	C3	107.350
Cl2	C1	C4	107.350	Cl2	C1	C5	107.350
C3	C1	C4	111.506	C3	C1	C5	111.506
C4	C1	C5	111.506	H6	C3	H9	109.156
H6	C3	H10	109.156	H7	C4	H11	109.156
H7	C4	H12	109.156	H8	C5	H13	109.156
H8	C5	H14	109.156	H9	C3	H10	108.997
H11	C4	H12	108.997	H13	C5	H14	108.997

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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