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	hartrees
Energy at 0K	-1031.833758
Energy at 298.15K
HF Energy	-1031.256979
Nuclear repulsion energy	292.768495

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	3195	3029	4.53	61.48	0.74	0.85
2	A₁	3100	2939	5.90	163.83	0.01	0.01
3	A₁	1586	1504	4.17	32.23	0.75	0.86
4	A₁	1509	1430	7.05	3.61	0.41	0.58
5	A₁	1249	1184	29.53	1.13	0.17	0.29
6	A₁	920	872	9.33	8.06	0.75	0.86
7	A₁	556	527	14.67	13.61	0.04	0.08
8	A₁	375	355	0.99	2.30	0.31	0.48
9	A₁	263	249	1.25	4.20	0.65	0.79
10	A₂	3177	3012	0.00	7.15	0.75	0.86
11	A₂	1577	1495	0.00	32.20	0.75	0.86
12	A₂	1101	1043	0.00	4.02	0.75	0.86
13	A₂	299	284	0.00	0.81	0.75	0.86
14	A₂	290	275	0.00	0.54	0.75	0.86
15	B₁	3182	3017	11.39	106.11	0.75	0.86
16	B₁	1595	1512	10.75	0.01	0.75	0.86
17	B₁	1216	1153	78.12	0.41	0.75	0.86
18	B₁	663	629	84.96	13.99	0.75	0.86
19	B₁	368	349	2.17	1.56	0.75	0.86
20	B₁	317	301	0.02	0.00	0.75	0.86
21	B₂	3194	3028	3.50	31.79	0.75	0.86
22	B₂	3097	2936	2.06	0.02	0.75	0.86
23	B₂	1574	1492	6.57	0.00	0.75	0.86
24	B₂	1493	1416	18.15	6.54	0.75	0.86
25	B₂	1227	1163	7.91	0.05	0.75	0.86
26	B₂	993	941	0.03	2.19	0.75	0.86
27	B₂	397	377	3.13	1.56	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.343
Cl2	1.475	0.000	-0.724
Cl3	-1.475	0.000	-0.724
C4	0.000	1.280	1.186
C5	0.000	-1.280	1.186
H6	0.000	2.159	0.538
H7	0.000	-2.159	0.538
H8	-0.895	1.293	1.816
H9	0.895	1.293	1.816
H10	0.895	-1.293	1.816
H11	-0.895	-1.293	1.816

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8206	1.8206	1.5325	1.5325	2.1681	2.1681	2.1542	2.1542	2.1542	2.1542
Cl2	1.8206		2.9496	2.7316	2.7316	2.9034	2.9034	3.7063	2.9086	2.9086	3.7063
Cl3	1.8206	2.9496		2.7316	2.7316	2.9034	2.9034	2.9086	3.7063	3.7063	2.9086
C4	1.5325	2.7316	2.7316		2.5604	1.0923	3.5001	1.0942	1.0942	2.7965	2.7965
C5	1.5325	2.7316	2.7316	2.5604		3.5001	1.0923	2.7965	2.7965	1.0942	1.0942
H6	2.1681	2.9034	2.9034	1.0923	3.5001		4.3187	1.7842	1.7842	3.7888	3.7888
H7	2.1681	2.9034	2.9034	3.5001	1.0923	4.3187		3.7888	3.7888	1.7842	1.7842
H8	2.1542	3.7063	2.9086	1.0942	2.7965	1.7842	3.7888		1.7891	3.1452	2.5868
H9	2.1542	2.9086	3.7063	1.0942	2.7965	1.7842	3.7888	1.7891		2.5868	3.1452
H10	2.1542	2.9086	3.7063	2.7965	1.0942	3.7888	1.7842	3.1452	2.5868		1.7891
H11	2.1542	3.7063	2.9086	2.7965	1.0942	3.7888	1.7842	2.5868	3.1452	1.7891

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.256	C1	C4	H8	109.059
C1	C4	H9	109.059	C1	C5	H7	110.256
C1	C5	H10	109.059	C1	C5	H11	109.059
Cl2	C1	Cl3	108.205	Cl2	C1	C4	108.803
Cl2	C1	C5	108.803	Cl3	C1	C4	108.803
Cl3	C1	C5	108.803	C4	C1	C5	113.307
H6	C4	H8	109.384	H6	C4	H9	109.384
H7	C5	H10	109.384	H7	C5	H11	109.384
H8	C4	H9	109.687	H10	C5	H11	109.687

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

using model chemistry: MP2=FULL/3-21G*

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: MP2=FULL/3-21G*

States and conformations

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