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	hartrees
Energy at 0K	-617.039496
Energy at 298.15K	-617.049556
HF Energy	-616.281975
Nuclear repulsion energy	241.837054

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3173	3007	39.52
2	A	3082	2922	20.27
3	A	1534	1454	7.23
4	A	1457	1381	2.37
5	A	1218	1155	53.52
6	A	857	812	10.78
7	A	616	584	20.62
8	A	381	361	1.59
9	A	3184	3018	0.00
10	A	1489	1411	0.00
11	A	994	942	0.00
12	A	232	220	0.00
13	A	3188	3022	23.02
13	A	3188	3022	23.02
14	A	3167	3002	3.76
14	A	3167	3002	3.76
15	A	3076	2916	14.01
15	A	3076	2916	14.01
16	A	1521	1442	6.29
16	A	1521	1442	6.29
17	A	1501	1423	0.18
17	A	1501	1423	0.18
18	A	1426	1352	12.14
18	A	1426	1352	12.14
19	A	1290	1223	5.15
19	A	1290	1223	5.15
20	A	1077	1021	0.01
20	A	1077	1021	0.01
21	A	961	911	0.01
21	A	961	911	0.01
22	A	412	391	0.86
22	A	412	391	0.86
23	A	312	296	0.22
23	A	312	296	0.22
24	A	306	290	0.40
24	A	306	290	0.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.350
Cl2	0.000	0.000	1.473
C3	0.000	1.447	-0.809
C4	1.253	-0.724	-0.809
C5	-1.253	-0.724	-0.809
H6	0.000	1.477	-1.901
H7	1.279	-0.738	-1.901
H8	-1.279	-0.738	-1.901
H9	0.884	1.970	-0.446
H10	-0.884	1.970	-0.446
H11	1.264	-1.751	-0.446
H12	2.148	-0.219	-0.446
H13	-2.148	-0.219	-0.446
H14	-1.264	-1.751	-0.446

	C1	Cl2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.8229	1.5183	1.5183	1.5183	2.1419	2.1419	2.1419	2.1614	2.1614	2.1614	2.1614	2.1614	2.1614
Cl2	1.8229		2.7023	2.7023	2.7023	3.6833	3.6833	3.6833	2.8885	2.8885	2.8885	2.8885	2.8885	2.8885
C3	1.5183	2.7023		2.5066	2.5066	1.0926	2.7578	2.7578	1.0897	1.0897	3.4578	2.7427	2.7427	3.4578
C4	1.5183	2.7023	2.5066		2.5066	2.7578	1.0926	2.7578	2.7427	3.4578	1.0897	1.0897	3.4578	2.7427
C5	1.5183	2.7023	2.5066	2.5066		2.7578	2.7578	1.0926	3.4578	2.7427	2.7427	3.4578	1.0897	1.0897
H6	2.1419	3.6833	1.0926	2.7578	2.7578		2.5580	2.5580	1.7732	1.7732	3.7595	3.0999	3.0999	3.7595
H7	2.1419	3.6833	2.7578	1.0926	2.7578	2.5580		2.5580	3.0999	3.7595	1.7732	1.7732	3.7595	3.0999
H8	2.1419	3.6833	2.7578	2.7578	1.0926	2.5580	2.5580		3.7595	3.0999	3.0999	3.7595	1.7732	1.7732
H9	2.1614	2.8885	1.0897	2.7427	3.4578	1.7732	3.0999	3.7595		1.7688	3.7399	2.5274	3.7399	4.2962
H10	2.1614	2.8885	1.0897	3.4578	2.7427	1.7732	3.7595	3.0999	1.7688		4.2962	3.7399	2.5274	3.7399
H11	2.1614	2.8885	3.4578	1.0897	2.7427	3.7595	1.7732	3.0999	3.7399	4.2962		1.7688	3.7399	2.5274
H12	2.1614	2.8885	2.7427	1.0897	3.4578	3.0999	1.7732	3.7595	2.5274	3.7399	1.7688		4.2962	3.7399
H13	2.1614	2.8885	2.7427	3.4578	1.0897	3.0999	3.7595	1.7732	3.7399	2.5274	3.7399	4.2962		1.7688
H14	2.1614	2.8885	3.4578	2.7427	1.0897	3.7595	3.0999	1.7732	4.2962	3.7399	2.5274	3.7399	1.7688

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H6	109.160	C1	C3	H9	110.871
C1	C3	H10	110.871	C1	C4	H7	109.160
C1	C4	H11	110.871	C1	C4	H12	110.871
C1	C5	H8	109.160	C1	C5	H13	110.871
C1	C5	H14	110.871	Cl2	C1	C3	107.604
Cl2	C1	C4	107.604	Cl2	C1	C5	107.604
C3	C1	C4	111.272	C3	C1	C5	111.272
C4	C1	C5	111.272	H6	C3	H9	108.689
H6	C3	H10	108.689	H7	C4	H11	108.689
H7	C4	H12	108.689	H8	C5	H13	108.689
H8	C5	H14	108.689	H9	C3	H10	108.506
H11	C4	H12	108.506	H13	C5	H14	108.506

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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