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	hartrees
Energy at 0K	-617.029157
Energy at 298.15K	-617.039236
HF Energy	-616.271130
Nuclear repulsion energy	241.888023

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3167	3009	40.35
2	A	3075	2922	18.06
3	A	1529	1452	7.02
4	A	1445	1373	2.53
5	A	1214	1153	56.75
6	A	860	817	10.30
7	A	622	591	20.15
8	A	382	363	1.45
9	A	3176	3018	0.00
10	A	1488	1414	0.00
11	A	983	934	0.00
12	A	241	229	0.00
13	A	3180	3022	22.23
13	A	3180	3022	22.23
14	A	3161	3003	3.04
14	A	3161	3003	3.04
15	A	3070	2917	13.49
15	A	3070	2917	13.49
16	A	1517	1442	6.11
16	A	1517	1442	6.11
17	A	1498	1423	0.35
17	A	1498	1423	0.35
18	A	1418	1347	13.81
18	A	1418	1347	13.81
19	A	1287	1223	4.84
19	A	1287	1223	4.84
20	A	1069	1016	0.08
20	A	1069	1016	0.08
21	A	958	910	0.16
21	A	958	910	0.16
22	A	412	391	0.59
22	A	412	391	0.59
23	A	314	299	0.19
23	A	314	299	0.19
24	A	308	293	0.28
24	A	308	293	0.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.346
Cl2	0.000	0.000	1.464
C3	0.000	1.452	-0.805
C4	1.258	-0.726	-0.805
C5	-1.258	-0.726	-0.805
H6	0.000	1.486	-1.900
H7	1.287	-0.743	-1.900
H8	-1.287	-0.743	-1.900
H9	0.887	1.974	-0.437
H10	-0.887	1.974	-0.437
H11	1.265	-1.755	-0.437
H12	2.153	-0.218	-0.437
H13	-2.153	-0.218	-0.437
H14	-1.265	-1.755	-0.437

	C1	Cl2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.8101	1.5232	1.5232	1.5232	2.1502	2.1502	2.1502	2.1658	2.1658	2.1658	2.1658	2.1658	2.1658
Cl2	1.8101		2.6941	2.6941	2.6941	3.6777	3.6777	3.6777	2.8803	2.8803	2.8803	2.8803	2.8803	2.8803
C3	1.5232	2.6941		2.5157	2.5157	1.0957	2.7703	2.7703	1.0930	1.0930	3.4679	2.7498	2.7498	3.4679
C4	1.5232	2.6941	2.5157		2.5157	2.7703	1.0957	2.7703	2.7498	3.4679	1.0930	1.0930	3.4679	2.7498
C5	1.5232	2.6941	2.5157	2.5157		2.7703	2.7703	1.0957	3.4679	2.7498	2.7498	3.4679	1.0930	1.0930
H6	2.1502	3.6777	1.0957	2.7703	2.7703		2.5736	2.5736	1.7795	1.7795	3.7746	3.1113	3.1113	3.7746
H7	2.1502	3.6777	2.7703	1.0957	2.7703	2.5736		2.5736	3.1113	3.7746	1.7795	1.7795	3.7746	3.1113
H8	2.1502	3.6777	2.7703	2.7703	1.0957	2.5736	2.5736		3.7746	3.1113	3.1113	3.7746	1.7795	1.7795
H9	2.1658	2.8803	1.0930	2.7498	3.4679	1.7795	3.1113	3.7746		1.7748	3.7479	2.5309	3.7479	4.3057
H10	2.1658	2.8803	1.0930	3.4679	2.7498	1.7795	3.7746	3.1113	1.7748		4.3057	3.7479	2.5309	3.7479
H11	2.1658	2.8803	3.4679	1.0930	2.7498	3.7746	1.7795	3.1113	3.7479	4.3057		1.7748	3.7479	2.5309
H12	2.1658	2.8803	2.7498	1.0930	3.4679	3.1113	1.7795	3.7746	2.5309	3.7479	1.7748		4.3057	3.7479
H13	2.1658	2.8803	2.7498	3.4679	1.0930	3.1113	3.7746	1.7795	3.7479	2.5309	3.7479	4.3057		1.7748
H14	2.1658	2.8803	3.4679	2.7498	1.0930	3.7746	3.1113	1.7795	4.3057	3.7479	2.5309	3.7479	1.7748

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H6	109.286	C1	C3	H9	110.679
C1	C3	H10	110.679	C1	C4	H7	109.286
C1	C4	H11	110.679	C1	C4	H12	110.679
C1	C5	H8	109.286	C1	C5	H13	110.679
C1	C5	H14	110.679	Cl2	C1	C3	107.538
Cl2	C1	C4	107.538	Cl2	C1	C5	107.538
C3	C1	C4	111.333	C3	C1	C5	111.333
C4	C1	C5	111.333	H6	C3	H9	108.791
H6	C3	H10	108.791	H7	C4	H11	108.791
H7	C4	H12	108.791	H8	C5	H13	108.791
H8	C5	H14	108.791	H9	C3	H10	108.568
H11	C4	H12	108.568	H13	C5	H14	108.568

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

using model chemistry: MP2/6-311G**

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: MP2/6-311G**

States and conformations

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