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	hartrees
Energy at 0K	-1037.001063
Energy at 298.15K
HF Energy	-1036.087944
Nuclear repulsion energy	295.667682

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3204	3029	5.68
2	A₁	3101	2932	8.19
3	A₁	1519	1436	2.51
4	A₁	1452	1373	4.75
5	A₁	1211	1145	30.28
6	A₁	958	906	6.80
7	A₁	583	552	13.11
8	A₁	368	348	0.44
9	A₁	262	248	1.18
10	A₂	3181	3008	0.00
11	A₂	1507	1425	0.00
12	A₂	1043	986	0.00
13	A₂	288	273	0.00
14	A₂	276	261	0.00
15	B₁	3186	3013	13.90
16	B₁	1529	1445	5.02
17	B₁	1167	1103	79.86
18	B₁	718	679	76.65
19	B₁	366	346	1.78
20	B₁	311	294	0.01
21	B₂	3202	3027	2.84
22	B₂	3098	2929	3.25
23	B₂	1505	1423	3.48
24	B₂	1436	1358	11.36
25	B₂	1244	1176	4.18
26	B₂	971	918	0.11
27	B₂	395	374	2.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.335
Cl2	1.457	0.000	-0.717
Cl3	-1.457	0.000	-0.717
C4	0.000	1.269	1.173
C5	0.000	-1.269	1.173
H6	0.000	2.151	0.533
H7	0.000	-2.151	0.533
H8	-0.890	1.286	1.805
H9	0.890	1.286	1.805
H10	0.890	-1.286	1.805
H11	-0.890	-1.286	1.805

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.7970	1.7970	1.5205	1.5205	2.1604	2.1604	2.1460	2.1460	2.1460	2.1460
Cl2	1.7970		2.9145	2.7024	2.7024	2.8834	2.8834	3.6770	2.8864	2.8864	3.6770
Cl3	1.7970	2.9145		2.7024	2.7024	2.8834	2.8834	2.8864	3.6770	3.6770	2.8864
C4	1.5205	2.7024	2.7024		2.5380	1.0895	3.4795	1.0919	1.0919	2.7782	2.7782
C5	1.5205	2.7024	2.7024	2.5380		3.4795	1.0895	2.7782	2.7782	1.0919	1.0919
H6	2.1604	2.8834	2.8834	1.0895	3.4795		4.3025	1.7770	1.7770	3.7711	3.7711
H7	2.1604	2.8834	2.8834	3.4795	1.0895	4.3025		3.7711	3.7711	1.7770	1.7770
H8	2.1460	3.6770	2.8864	1.0919	2.7782	1.7770	3.7711		1.7804	3.1275	2.5713
H9	2.1460	2.8864	3.6770	1.0919	2.7782	1.7770	3.7711	1.7804		2.5713	3.1275
H10	2.1460	2.8864	3.6770	2.7782	1.0919	3.7711	1.7770	3.1275	2.5713		1.7804
H11	2.1460	3.6770	2.8864	2.7782	1.0919	3.7711	1.7770	2.5713	3.1275	1.7804

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.648	C1	C4	H8	109.368
C1	C4	H9	109.368	C1	C5	H7	110.648
C1	C5	H10	109.368	C1	C5	H11	109.368
Cl2	C1	Cl3	108.370	Cl2	C1	C4	108.806
Cl2	C1	C5	108.806	Cl3	C1	C4	108.806
Cl3	C1	C5	108.806	C4	C1	C5	113.142
H6	C4	H8	109.102	H6	C4	H9	109.102
H7	C5	H10	109.102	H7	C5	H11	109.102
H8	C4	H9	109.233	H10	C5	H11	109.233

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

using model chemistry: CCSD/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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