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	hartrees
Energy at 0K	-171.764795
Energy at 298.15K	-171.774579
HF Energy	-171.375150
Nuclear repulsion energy	169.488577

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3128	3012	59.03
2	A	3023	2912	32.86
3	A	1550	1493	18.02
4	A	1474	1419	2.36
5	A	1226	1180	63.73
6	A	811	781	8.36
7	A	551	530	21.00
8	A	367	354	4.27
9	A	3140	3024	0.00
10	A	1512	1456	0.00
11	A	1004	967	0.00
12	A	208	200	0.00
13	A	3146	3030	40.10
13	A	3146	3030	40.10
14	A	3120	3005	9.14
14	A	3120	3005	9.14
15	A	3019	2908	21.49
15	A	3019	2908	21.49
16	A	1534	1477	8.80
16	A	1534	1477	8.80
17	A	1526	1470	1.81
17	A	1526	1470	1.81
18	A	1449	1395	16.12
18	A	1449	1395	16.12
19	A	1297	1249	15.12
19	A	1297	1249	15.12
20	A	1080	1040	0.00
20	A	1080	1040	0.00
21	A	959	923	0.21
21	A	959	923	0.21
22	A	403	388	0.53
22	A	403	388	0.53
23	A	294	283	1.05
23	A	294	283	1.05
24	A	277	267	0.06
24	A	277	267	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.397
Cl2	0.000	0.000	1.533
C3	0.000	1.486	-0.838
C4	1.287	-0.743	-0.838
C5	-1.287	-0.743	-0.838
H6	0.000	1.537	-1.944
H7	1.331	-0.768	-1.944
H8	-1.331	-0.768	-1.944
H9	0.896	2.007	-0.459
H10	-0.896	2.007	-0.459
H11	1.290	-1.779	-0.459
H12	2.186	-0.227	-0.459
H13	-2.186	-0.227	-0.459
H14	-1.290	-1.779	-0.459

	C1	Cl2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.9303	1.5505	1.5505	1.5505	2.1805	2.1805	2.1805	2.1987	2.1987	2.1987	2.1987	2.1987	2.1987
Cl2	1.9303		2.7987	2.7987	2.7987	3.8016	3.8016	3.8016	2.9662	2.9662	2.9662	2.9662	2.9662	2.9662
C3	1.5505	2.7987		2.5747	2.5747	1.1071	2.8423	2.8423	1.1034	1.1034	3.5319	2.8035	2.8035	3.5319
C4	1.5505	2.7987	2.5747		2.5747	2.8423	1.1071	2.8423	2.8035	3.5319	1.1034	1.1034	3.5319	2.8035
C5	1.5505	2.7987	2.5747	2.5747		2.8423	2.8423	1.1071	3.5319	2.8035	2.8035	3.5319	1.1034	1.1034
H6	2.1805	3.8016	1.1071	2.8423	2.8423		2.6618	2.6618	1.7971	1.7971	3.8558	3.1775	3.1775	3.8558
H7	2.1805	3.8016	2.8423	1.1071	2.8423	2.6618		2.6618	3.1775	3.8558	1.7971	1.7971	3.8558	3.1775
H8	2.1805	3.8016	2.8423	2.8423	1.1071	2.6618	2.6618		3.8558	3.1775	3.1775	3.8558	1.7971	1.7971
H9	2.1987	2.9662	1.1034	2.8035	3.5319	1.7971	3.1775	3.8558		1.7921	3.8067	2.5799	3.8067	4.3720
H10	2.1987	2.9662	1.1034	3.5319	2.8035	1.7971	3.8558	3.1775	1.7921		4.3720	3.8067	2.5799	3.8067
H11	2.1987	2.9662	3.5319	1.1034	2.8035	3.8558	1.7971	3.1775	3.8067	4.3720		1.7921	3.8067	2.5799
H12	2.1987	2.9662	2.8035	1.1034	3.5319	3.1775	1.7971	3.8558	2.5799	3.8067	1.7921		4.3720	3.8067
H13	2.1987	2.9662	2.8035	3.5319	1.1034	3.1775	3.8558	1.7971	3.8067	2.5799	3.8067	4.3720		1.7921
H14	2.1987	2.9662	3.5319	2.8035	1.1034	3.8558	3.1775	1.7971	4.3720	3.8067	2.5799	3.8067	1.7921

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H6	109.126	C1	C3	H9	110.754
C1	C3	H10	110.754	C1	C4	H7	109.126
C1	C4	H11	110.754	C1	C4	H12	110.754
C1	C5	H8	109.126	C1	C5	H13	110.754
C1	C5	H14	110.754	Cl2	C1	C3	106.522
Cl2	C1	C4	106.522	Cl2	C1	C5	106.522
C3	C1	C4	112.253	C3	C1	C5	112.253
C4	C1	C5	112.253	H6	C3	H9	108.779
H6	C3	H10	108.779	H7	C4	H11	108.779
H7	C4	H12	108.780	H8	C5	H13	108.780
H8	C5	H14	108.779	H9	C3	H10	108.600
H11	C4	H12	108.600	H13	C5	H14	108.600

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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