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	hartrees
Energy at 0K	-1036.881895
Energy at 298.15K
HF Energy	-1036.115682
Nuclear repulsion energy	293.554016

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3186	3018	8.81
2	A₁	3078	2916	13.15
3	A₁	1489	1411	2.60
4	A₁	1426	1351	3.39
5	A₁	1199	1136	32.34
6	A₁	955	905	7.07
7	A₁	577	546	13.92
8	A₁	368	348	0.40
9	A₁	261	248	1.07
10	A₂	3163	2996	0.00
11	A₂	1478	1400	0.00
12	A₂	1027	973	0.00
13	A₂	289	274	0.00
14	A₂	280	265	0.00
15	B₁	3169	3002	21.70
16	B₁	1498	1419	4.92
17	B₁	1152	1091	72.29
18	B₁	702	665	77.17
19	B₁	367	348	1.77
20	B₁	315	299	0.00
21	B₂	3184	3016	5.22
22	B₂	3075	2913	6.34
23	B₂	1476	1398	3.09
24	B₂	1412	1337	9.36
25	B₂	1242	1177	5.69
26	B₂	961	911	0.01
27	B₂	396	375	3.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.339
Cl2	1.471	0.000	-0.720
Cl3	-1.471	0.000	-0.720
C4	0.000	1.275	1.177
C5	0.000	-1.275	1.177
H6	0.000	2.165	0.528
H7	0.000	-2.165	0.528
H8	-0.900	1.294	1.816
H9	0.900	1.294	1.816
H10	0.900	-1.294	1.816
H11	-0.900	-1.294	1.816

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8120	1.8120	1.5264	1.5264	2.1735	2.1735	2.1606	2.1606	2.1606	2.1606
Cl2	1.8120		2.9415	2.7182	2.7182	2.8998	2.8998	3.7049	2.9037	2.9037	3.7049
Cl3	1.8120	2.9415		2.7182	2.7182	2.8998	2.8998	2.9037	3.7049	3.7049	2.9037
C4	1.5264	2.7182	2.7182		2.5507	1.1014	3.5012	1.1038	1.1038	2.7967	2.7967
C5	1.5264	2.7182	2.7182	2.5507		3.5012	1.1014	2.7967	2.7967	1.1038	1.1038
H6	2.1735	2.8998	2.8998	1.1014	3.5012		4.3304	1.7963	1.7963	3.7996	3.7996
H7	2.1735	2.8998	2.8998	3.5012	1.1014	4.3304		3.7996	3.7996	1.7963	1.7963
H8	2.1606	3.7049	2.9037	1.1038	2.7967	1.7963	3.7996		1.8002	3.1531	2.5887
H9	2.1606	2.9037	3.7049	1.1038	2.7967	1.7963	3.7996	1.8002		2.5887	3.1531
H10	2.1606	2.9037	3.7049	2.7967	1.1038	3.7996	1.7963	3.1531	2.5887		1.8002
H11	2.1606	3.7049	2.9037	2.7967	1.1038	3.7996	1.7963	2.5887	3.1531	1.8002

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.565	C1	C4	H8	109.407
C1	C4	H9	109.407	C1	C5	H7	110.565
C1	C5	H10	109.407	C1	C5	H11	109.407
Cl2	C1	Cl3	108.519	Cl2	C1	C4	108.720
Cl2	C1	C5	108.720	Cl3	C1	C4	108.720
Cl3	C1	C5	108.720	C4	C1	C5	113.340
H6	C4	H8	109.090	H6	C4	H9	109.090
H7	C5	H10	109.090	H7	C5	H11	109.090
H8	C4	H9	109.260	H10	C5	H11	109.260

All results from a given calculation for CH₃CCl₂CH₃ (Propane, 2,2-dichloro-)

using model chemistry: CCSD/cc-pVDZ

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 CH3CCl2CH3 (Propane, 2,2-dichloro-)

using model chemistry: CCSD/cc-pVDZ

States and conformations

All results from a given calculation for CH₃CCl₂CH₃ (Propane, 2,2-dichloro-)