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	hartrees
Energy at 0K	-42.166445
Energy at 298.15K	-42.176239
HF Energy	-41.799960
Nuclear repulsion energy	105.054129

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3141	3035	87.72
2	A	3033	2931	41.56
3	A	1536	1484	13.52
4	A	1469	1419	2.41
5	A	1221	1180	81.07
6	A	816	788	11.17
7	A	553	535	27.48
8	A	363	351	3.13
9	A	3149	3043	0.00
10	A	1499	1449	0.00
11	A	997	963	0.00
12	A	225	217	0.00
13	A	3156	3050	56.31
13	A	3156	3050	56.31
14	A	3132	3027	9.79
14	A	3132	3027	9.79
15	A	3029	2927	29.93
15	A	3029	2927	29.93
16	A	1521	1470	6.18
16	A	1521	1470	6.18
17	A	1512	1461	1.65
17	A	1512	1461	1.65
18	A	1443	1395	13.12
18	A	1443	1395	13.12
19	A	1293	1250	13.49
19	A	1293	1250	13.49
20	A	1077	1041	0.00
20	A	1077	1041	0.00
21	A	957	924	0.37
21	A	957	924	0.37
22	A	397	383	0.52
22	A	397	383	0.52
23	A	291	281	0.93
23	A	291	281	0.93
24	A	279	270	0.01
24	A	279	270	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.391
Cl2	0.000	0.000	1.540
C3	0.000	1.495	-0.843
C4	1.295	-0.748	-0.843
C5	-1.295	-0.748	-0.843
H6	0.000	1.538	-1.956
H7	1.332	-0.769	-1.956
H8	-1.332	-0.769	-1.956
H9	0.901	2.020	-0.465
H10	-0.901	2.020	-0.465
H11	1.299	-1.790	-0.465
H12	2.200	-0.230	-0.465
H13	-2.200	-0.230	-0.465
H14	-1.299	-1.790	-0.465

	C1	Cl2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.9315	1.5623	1.5623	1.5623	2.1936	2.1936	2.1936	2.2130	2.2130	2.2130	2.2130	2.2130	2.2130
Cl2	1.9315		2.8138	2.8138	2.8138	3.8191	3.8191	3.8191	2.9854	2.9854	2.9854	2.9854	2.9854	2.9854
C3	1.5623	2.8138		2.5901	2.5901	1.1132	2.8525	2.8525	1.1093	1.1093	3.5534	2.8210	2.8210	3.5534
C4	1.5623	2.8138	2.5901		2.5901	2.8525	1.1132	2.8525	2.8210	3.5534	1.1093	1.1093	3.5534	2.8210
C5	1.5623	2.8138	2.5901	2.5901		2.8525	2.8525	1.1132	3.5534	2.8210	2.8210	3.5534	1.1093	1.1093
H6	2.1936	3.8191	1.1132	2.8525	2.8525		2.6631	2.6631	1.8076	1.8076	3.8710	3.1914	3.1914	3.8710
H7	2.1936	3.8191	2.8525	1.1132	2.8525	2.6631		2.6631	3.1914	3.8710	1.8076	1.8076	3.8710	3.1914
H8	2.1936	3.8191	2.8525	2.8525	1.1132	2.6631	2.6631		3.8710	3.1914	3.1914	3.8710	1.8076	1.8076
H9	2.2130	2.9854	1.1093	2.8210	3.5534	1.8076	3.1914	3.8710		1.8023	3.8310	2.5974	3.8310	4.3997
H10	2.2130	2.9854	1.1093	3.5534	2.8210	1.8076	3.8710	3.1914	1.8023		4.3997	3.8310	2.5974	3.8310
H11	2.2130	2.9854	3.5534	1.1093	2.8210	3.8710	1.8076	3.1914	3.8310	4.3997		1.8023	3.8310	2.5974
H12	2.2130	2.9854	2.8210	1.1093	3.5534	3.1914	1.8076	3.8710	2.5974	3.8310	1.8023		4.3997	3.8310
H13	2.2130	2.9854	2.8210	3.5534	1.1093	3.1914	3.8710	1.8076	3.8310	2.5974	3.8310	4.3997		1.8023
H14	2.2130	2.9854	3.5534	2.8210	1.1093	3.8710	3.1914	1.8076	4.3997	3.8310	2.5974	3.8310	1.8023

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H6	108.992	C1	C3	H9	110.724
C1	C3	H10	110.724	C1	C4	H7	108.992
C1	C4	H11	110.724	C1	C4	H12	110.724
C1	C5	H8	108.992	C1	C5	H13	110.724
C1	C5	H14	110.724	Cl2	C1	C3	106.822
Cl2	C1	C4	106.822	Cl2	C1	C5	106.822
C3	C1	C4	111.985	C3	C1	C5	111.985
C4	C1	C5	111.985	H6	C3	H9	108.849
H6	C3	H10	108.849	H7	C4	H11	108.849
H7	C4	H12	108.849	H8	C5	H13	108.849
H8	C5	H14	108.849	H9	C3	H10	108.660
H11	C4	H12	108.660	H13	C5	H14	108.660

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

using model chemistry: MP2/CEP-31G

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/CEP-31G

States and conformations

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