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	hartrees
Energy at 0K	-1036.775143
Energy at 298.15K
HF Energy	-1036.063072
Nuclear repulsion energy	295.404657

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3198	3026	7.96
2	A₁	3097	2932	9.98
3	A₁	1541	1459	2.87
4	A₁	1481	1402	7.18
5	A₁	1236	1170	30.09
6	A₁	972	920	6.42
7	A₁	593	561	13.51
8	A₁	380	360	0.45
9	A₁	270	256	1.24
10	A₂	3176	3006	0.00
11	A₂	1531	1449	0.00
12	A₂	1063	1006	0.00
13	A₂	297	281	0.00
14	A₂	285	269	0.00
15	B₁	3182	3011	18.58
16	B₁	1551	1468	8.55
17	B₁	1197	1133	80.23
18	B₁	731	692	73.40
19	B₁	375	355	1.64
20	B₁	320	303	0.02
21	B₂	3196	3025	5.02
22	B₂	3093	2928	4.63
23	B₂	1528	1446	4.67
24	B₂	1465	1386	15.69
25	B₂	1266	1198	4.83
26	B₂	990	937	0.22
27	B₂	403	382	3.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.333
Cl2	1.460	0.000	-0.716
Cl3	-1.460	0.000	-0.716
C4	0.000	1.268	1.172
C5	0.000	-1.268	1.172
H6	0.000	2.155	0.533
H7	0.000	-2.155	0.533
H8	-0.892	1.285	1.807
H9	0.892	1.285	1.807
H10	0.892	-1.285	1.807
H11	-0.892	-1.285	1.807

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.7980	1.7980	1.5205	1.5205	2.1642	2.1642	2.1497	2.1497	2.1497	2.1497
Cl2	1.7980		2.9208	2.7029	2.7029	2.8875	2.8875	3.6814	2.8878	2.8878	3.6814
Cl3	1.7980	2.9208		2.7029	2.7029	2.8875	2.8875	2.8878	3.6814	3.6814	2.8878
C4	1.5205	2.7029	2.7029		2.5357	1.0931	3.4819	1.0952	1.0952	2.7780	2.7780
C5	1.5205	2.7029	2.7029	2.5357		3.4819	1.0931	2.7780	2.7780	1.0952	1.0952
H6	2.1642	2.8875	2.8875	1.0931	3.4819		4.3098	1.7816	1.7816	3.7753	3.7753
H7	2.1642	2.8875	2.8875	3.4819	1.0931	4.3098		3.7753	3.7753	1.7816	1.7816
H8	2.1497	3.6814	2.8878	1.0952	2.7780	1.7816	3.7753		1.7848	3.1294	2.5705
H9	2.1497	2.8878	3.6814	1.0952	2.7780	1.7816	3.7753	1.7848		2.5705	3.1294
H10	2.1497	2.8878	3.6814	2.7780	1.0952	3.7753	1.7816	3.1294	2.5705		1.7848
H11	2.1497	3.6814	2.8878	2.7780	1.0952	3.7753	1.7816	2.5705	3.1294	1.7848

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.737	C1	C4	H8	109.459
C1	C4	H9	109.459	C1	C5	H7	110.737
C1	C5	H10	109.459	C1	C5	H11	109.459
Cl2	C1	Cl3	108.628	Cl2	C1	C4	108.786
Cl2	C1	C5	108.786	Cl3	C1	C4	108.786
Cl3	C1	C5	108.786	C4	C1	C5	112.986
H6	C4	H8	109.008	H6	C4	H9	109.008
H7	C5	H10	109.008	H7	C5	H11	109.008
H8	C4	H9	109.146	H10	C5	H11	109.146

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

using model chemistry: CCD/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 CH3CCl2CH3 (Propane, 2,2-dichloro-)

using model chemistry: CCD/6-31G*

States and conformations

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