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	hartrees
Energy at 0K	-1038.150288
Energy at 298.15K
HF Energy	-1037.740667
Nuclear repulsion energy	295.460973

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3166	3166	7.27	68.26	0.72	0.84
2	A₁	3070	3070	12.39	279.48	0.00	0.01
3	A₁	1501	1501	3.74	9.76	0.74	0.85
4	A₁	1433	1433	5.03	0.30	0.42	0.59
5	A₁	1189	1189	30.61	1.79	0.49	0.66
6	A₁	931	931	9.82	6.28	0.69	0.81
7	A₁	564	564	14.96	14.80	0.03	0.06
8	A₁	364	364	0.76	2.10	0.33	0.50
9	A₁	255	255	1.00	3.27	0.63	0.78
10	A₂	3141	3141	0.00	12.97	0.75	0.86
11	A₂	1490	1490	0.00	11.19	0.75	0.86
12	A₂	1034	1034	0.00	0.73	0.75	0.86
13	A₂	284	284	0.00	1.43	0.75	0.86
14	A₂	266	266	0.00	0.03	0.75	0.86
15	B₁	3147	3147	18.63	114.36	0.75	0.86
16	B₁	1511	1511	5.24	0.12	0.75	0.86
17	B₁	1145	1145	72.05	3.22	0.75	0.86
18	B₁	659	659	89.69	12.07	0.75	0.86
19	B₁	361	361	3.21	1.62	0.75	0.86
20	B₁	301	301	0.00	0.01	0.75	0.86
21	B₂	3165	3165	4.63	33.01	0.75	0.86
22	B₂	3066	3066	4.52	2.37	0.75	0.86
23	B₂	1487	1487	4.16	0.09	0.75	0.86
24	B₂	1417	1417	13.85	0.53	0.75	0.86
25	B₂	1220	1220	5.72	1.34	0.75	0.86
26	B₂	959	959	0.02	1.08	0.75	0.86
27	B₂	391	391	2.66	1.12	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.342
Cl2	1.462	0.000	-0.717
Cl3	-1.462	0.000	-0.717
C4	0.000	1.267	1.171
C5	0.000	-1.267	1.171
H6	0.000	2.144	0.532
H7	0.000	-2.144	0.532
H8	-0.887	1.286	1.801
H9	0.887	1.286	1.801
H10	0.887	-1.286	1.801
H11	-0.887	-1.286	1.801

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8049	1.8049	1.5144	1.5144	2.1526	2.1526	2.1379	2.1379	2.1379	2.1379
Cl2	1.8049		2.9240	2.7033	2.7033	2.8802	2.8802	3.6758	2.8852	2.8852	3.6758
Cl3	1.8049	2.9240		2.7033	2.7033	2.8802	2.8802	2.8852	3.6758	3.6758	2.8852
C4	1.5144	2.7033	2.7033		2.5338	1.0852	3.4704	1.0880	1.0880	2.7750	2.7750
C5	1.5144	2.7033	2.7033	2.5338		3.4704	1.0852	2.7750	2.7750	1.0880	1.0880
H6	2.1526	2.8802	2.8802	1.0852	3.4704		4.2882	1.7699	1.7699	3.7632	3.7632
H7	2.1526	2.8802	2.8802	3.4704	1.0852	4.2882		3.7632	3.7632	1.7699	1.7699
H8	2.1379	3.6758	2.8852	1.0880	2.7750	1.7699	3.7632		1.7739	3.1244	2.5720
H9	2.1379	2.8852	3.6758	1.0880	2.7750	1.7699	3.7632	1.7739		2.5720	3.1244
H10	2.1379	2.8852	3.6758	2.7750	1.0880	3.7632	1.7699	3.1244	2.5720		1.7739
H11	2.1379	3.6758	2.8852	2.7750	1.0880	3.7632	1.7699	2.5720	3.1244	1.7739

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.709	C1	C4	H8	109.377
C1	C4	H9	109.377	C1	C5	H7	110.709
C1	C5	H10	109.377	C1	C5	H11	109.377
Cl2	C1	Cl3	108.193	Cl2	C1	C4	108.741
Cl2	C1	C5	108.741	Cl3	C1	C4	108.741
Cl3	C1	C5	108.741	C4	C1	C5	113.556
H6	C4	H8	109.064	H6	C4	H9	109.064
H7	C5	H10	109.064	H7	C5	H11	109.064
H8	C4	H9	109.226	H10	C5	H11	109.226

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

using model chemistry: B2PLYP=FULL/Def2TZVPP

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: B2PLYP=FULL/Def2TZVPP

States and conformations

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