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	hartrees
Energy at 0K	-1037.884181
Energy at 298.15K
HF Energy	-1037.643771
Nuclear repulsion energy	294.352232

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	3207	3207	7.45	72.16	0.73	0.85
2	A₁	3102	3102	10.87	210.05	0.01	0.01
3	A₁	1526	1526	1.94	24.71	0.75	0.86
4	A₁	1457	1457	4.42	2.91	0.31	0.47
5	A₁	1209	1209	34.77	1.07	0.13	0.23
6	A₁	943	943	10.16	7.86	0.75	0.86
7	A₁	569	569	17.57	14.29	0.04	0.08
8	A₁	371	371	0.82	2.47	0.33	0.50
9	A₁	260	260	1.21	4.08	0.65	0.79
10	A₂	3182	3182	0.00	10.48	0.75	0.86
11	A₂	1515	1515	0.00	25.95	0.75	0.86
12	A₂	1048	1048	0.00	3.18	0.75	0.86
13	A₂	289	289	0.00	1.12	0.75	0.86
14	A₂	278	278	0.00	0.16	0.75	0.86
15	B₁	3188	3188	19.05	122.48	0.75	0.86
16	B₁	1536	1536	6.00	0.02	0.75	0.86
17	B₁	1166	1166	85.61	0.79	0.75	0.86
18	B₁	671	671	101.68	14.03	0.75	0.86
19	B₁	367	367	3.13	1.61	0.75	0.86
20	B₁	313	313	0.01	0.00	0.75	0.86
21	B₂	3206	3206	4.98	36.09	0.75	0.86
22	B₂	3098	3098	4.28	0.53	0.75	0.86
23	B₂	1512	1512	4.02	0.05	0.75	0.86
24	B₂	1440	1440	11.14	5.03	0.75	0.86
25	B₂	1238	1238	7.70	0.15	0.75	0.86
26	B₂	971	971	0.03	2.14	0.75	0.86
27	B₂	395	395	3.74	1.46	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.341
Cl2	1.470	0.000	-0.719
Cl3	-1.470	0.000	-0.719
C4	0.000	1.270	1.174
C5	0.000	-1.270	1.174
H6	0.000	2.151	0.537
H7	0.000	-2.151	0.537
H8	-0.888	1.288	1.806
H9	0.888	1.288	1.806
H10	0.888	-1.288	1.806
H11	-0.888	-1.288	1.806

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8125	1.8125	1.5187	1.5187	2.1601	2.1601	2.1435	2.1435	2.1435	2.1435
Cl2	1.8125		2.9408	2.7124	2.7124	2.8924	2.8924	3.6874	2.8935	2.8935	3.6874
Cl3	1.8125	2.9408		2.7124	2.7124	2.8924	2.8924	2.8935	3.6874	3.6874	2.8935
C4	1.5187	2.7124	2.7124		2.5395	1.0878	3.4799	1.0903	1.0903	2.7804	2.7804
C5	1.5187	2.7124	2.7124	2.5395		3.4799	1.0878	2.7804	2.7804	1.0903	1.0903
H6	2.1601	2.8924	2.8924	1.0878	3.4799		4.3024	1.7736	1.7736	3.7721	3.7721
H7	2.1601	2.8924	2.8924	3.4799	1.0878	4.3024		3.7721	3.7721	1.7736	1.7736
H8	2.1435	3.6874	2.8935	1.0903	2.7804	1.7736	3.7721		1.7768	3.1293	2.5760
H9	2.1435	2.8935	3.6874	1.0903	2.7804	1.7736	3.7721	1.7768		2.5760	3.1293
H10	2.1435	2.8935	3.6874	2.7804	1.0903	3.7721	1.7736	3.1293	2.5760		1.7768
H11	2.1435	3.6874	2.8935	2.7804	1.0903	3.7721	1.7736	2.5760	3.1293	1.7768

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.853	C1	C4	H8	109.385
C1	C4	H9	109.385	C1	C5	H7	110.853
C1	C5	H10	109.385	C1	C5	H11	109.385
Cl2	C1	Cl3	108.440	Cl2	C1	C4	108.709
Cl2	C1	C5	108.709	Cl3	C1	C4	108.709
Cl3	C1	C5	108.709	C4	C1	C5	113.457
H6	C4	H8	109.031	H6	C4	H9	109.031
H7	C5	H10	109.031	H7	C5	H11	109.031
H8	C4	H9	109.131	H10	C5	H11	109.131

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/6-31G**

States and conformations

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