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	hartrees
Energy at 0K	-616.970916
Energy at 298.15K	-616.981025
HF Energy	-616.219620
Nuclear repulsion energy	242.312540

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3230	3018	38.45
2	A	3132	2927	15.64
3	A	1575	1472	6.59
4	A	1482	1385	2.49
5	A	1238	1157	54.86
6	A	868	811	10.44
7	A	625	584	20.61
8	A	385	360	1.90
9	A	3241	3028	0.00
10	A	1531	1430	0.00
11	A	1002	936	0.00
12	A	253	236	0.00
13	A	3244	3032	21.53
13	A	3244	3032	21.53
14	A	3224	3013	3.22
14	A	3224	3013	3.22
15	A	3127	2922	12.49
15	A	3127	2922	12.49
16	A	1557	1455	5.39
16	A	1557	1455	5.39
17	A	1545	1443	0.39
17	A	1545	1443	0.39
18	A	1454	1359	10.25
18	A	1454	1359	10.25
19	A	1312	1226	4.85
19	A	1312	1226	4.85
20	A	1088	1017	0.00
20	A	1088	1017	0.00
21	A	974	910	0.25
21	A	974	910	0.25
22	A	417	390	0.61
22	A	417	390	0.61
23	A	315	294	0.45
23	A	315	294	0.45
24	A	307	287	0.27
24	A	307	287	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.345
Cl2	0.000	0.000	1.466
C3	0.000	1.448	-0.806
C4	1.254	-0.724	-0.806
C5	-1.254	-0.724	-0.806
H6	0.000	1.478	-1.895
H7	1.280	-0.739	-1.895
H8	-1.280	-0.739	-1.895
H9	0.883	1.969	-0.444
H10	-0.883	1.969	-0.444
H11	1.263	-1.749	-0.444
H12	2.146	-0.220	-0.444
H13	-2.146	-0.220	-0.444
H14	-1.263	-1.749	-0.444

	C1	Cl2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.8112	1.5194	1.5194	1.5194	2.1423	2.1423	2.1423	2.1599	2.1599	2.1599	2.1599	2.1599	2.1599
Cl2	1.8112		2.6942	2.6942	2.6942	3.6723	3.6723	3.6723	2.8816	2.8816	2.8816	2.8816	2.8816	2.8816
C3	1.5194	2.6942		2.5075	2.5075	1.0898	2.7583	2.7583	1.0874	1.0874	3.4565	2.7420	2.7420	3.4565
C4	1.5194	2.6942	2.5075		2.5075	2.7583	1.0898	2.7583	2.7420	3.4565	1.0874	1.0874	3.4565	2.7420
C5	1.5194	2.6942	2.5075	2.5075		2.7583	2.7583	1.0898	3.4565	2.7420	2.7420	3.4565	1.0874	1.0874
H6	2.1423	3.6723	1.0898	2.7583	2.7583		2.5606	2.5606	1.7685	1.7685	3.7577	3.0980	3.0980	3.7577
H7	2.1423	3.6723	2.7583	1.0898	2.7583	2.5606		2.5606	3.0980	3.7577	1.7685	1.7685	3.7577	3.0980
H8	2.1423	3.6723	2.7583	2.7583	1.0898	2.5606	2.5606		3.7577	3.0980	3.0980	3.7577	1.7685	1.7685
H9	2.1599	2.8816	1.0874	2.7420	3.4565	1.7685	3.0980	3.7577		1.7661	3.7372	2.5268	3.7372	4.2930
H10	2.1599	2.8816	1.0874	3.4565	2.7420	1.7685	3.7577	3.0980	1.7661		4.2930	3.7372	2.5268	3.7372
H11	2.1599	2.8816	3.4565	1.0874	2.7420	3.7577	1.7685	3.0980	3.7372	4.2930		1.7661	3.7372	2.5268
H12	2.1599	2.8816	2.7420	1.0874	3.4565	3.0980	1.7685	3.7577	2.5268	3.7372	1.7661		4.2930	3.7372
H13	2.1599	2.8816	2.7420	3.4565	1.0874	3.0980	3.7577	1.7685	3.7372	2.5268	3.7372	4.2930		1.7661
H14	2.1599	2.8816	3.4565	2.7420	1.0874	3.7577	3.0980	1.7685	4.2930	3.7372	2.5268	3.7372	1.7661

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H6	109.274	C1	C3	H9	110.821
C1	C3	H10	110.821	C1	C4	H7	109.274
C1	C4	H11	110.821	C1	C4	H12	110.821
C1	C5	H8	109.274	C1	C5	H13	110.821
C1	C5	H14	110.821	Cl2	C1	C3	107.663
Cl2	C1	C4	107.663	Cl2	C1	C5	107.663
C3	C1	C4	111.217	C3	C1	C5	111.217
C4	C1	C5	111.217	H6	C3	H9	108.633
H6	C3	H10	108.633	H7	C4	H11	108.633
H7	C4	H12	108.633	H8	C5	H13	108.633
H8	C5	H14	108.633	H9	C3	H10	108.602
H11	C4	H12	108.602	H13	C5	H14	108.602

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

using model chemistry: MP2=FULL/6-31G**

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=FULL/6-31G**

States and conformations

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