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	hartrees
Energy at 0K	-1036.878381
Energy at 298.15K
HF Energy	-1036.126791
Nuclear repulsion energy	293.939410

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	3189	3058	6.40	61.47	0.73	0.85
2	A₁	3071	2945	11.26	299.37	0.00	0.00
3	A₁	1478	1417	4.15	7.54	0.74	0.85
4	A₁	1402	1344	5.62	0.30	0.33	0.50
5	A₁	1179	1131	30.29	4.12	0.53	0.69
6	A₁	946	908	6.54	6.28	0.61	0.76
7	A₁	573	550	13.08	19.84	0.02	0.04
8	A₁	368	353	0.54	2.24	0.24	0.38
9	A₁	259	249	0.98	2.50	0.65	0.78
10	A₂	3165	3035	0.00	11.99	0.75	0.86
11	A₂	1467	1407	0.00	8.47	0.75	0.86
12	A₂	1013	971	0.00	0.15	0.75	0.86
13	A₂	290	278	0.00	1.20	0.75	0.86
14	A₂	272	260	0.00	0.04	0.75	0.86
15	B₁	3170	3040	15.34	104.90	0.75	0.86
16	B₁	1490	1429	5.36	0.04	0.75	0.86
17	B₁	1129	1082	72.94	5.06	0.75	0.86
18	B₁	685	657	78.05	11.17	0.75	0.86
19	B₁	365	350	2.24	1.35	0.75	0.86
20	B₁	309	297	0.01	0.00	0.75	0.86
21	B₂	3187	3056	3.47	28.92	0.75	0.86
22	B₂	3068	2942	4.07	2.53	0.75	0.86
23	B₂	1465	1405	3.11	0.03	0.75	0.86
24	B₂	1387	1330	15.97	0.06	0.75	0.86
25	B₂	1233	1183	3.53	2.63	0.75	0.86
26	B₂	949	910	0.00	0.86	0.75	0.86
27	B₂	395	379	2.54	0.95	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.345
Cl2	1.468	0.000	-0.720
Cl3	-1.468	0.000	-0.720
C4	0.000	1.274	1.176
C5	0.000	-1.274	1.176
H6	0.000	2.159	0.526
H7	0.000	-2.159	0.526
H8	-0.899	1.292	1.812
H9	0.899	1.292	1.812
H10	0.899	-1.292	1.812
H11	-0.899	-1.292	1.812

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8136	1.8136	1.5213	1.5213	2.1665	2.1665	2.1513	2.1513	2.1513	2.1513
Cl2	1.8136		2.9355	2.7157	2.7157	2.8927	2.8927	3.6988	2.8987	2.8987	3.6988
Cl3	1.8136	2.9355		2.7157	2.7157	2.8927	2.8927	2.8987	3.6988	3.6988	2.8987
C4	1.5213	2.7157	2.7157		2.5482	1.0985	3.4942	1.1009	1.1009	2.7922	2.7922
C5	1.5213	2.7157	2.7157	2.5482		3.4942	1.0985	2.7922	2.7922	1.1009	1.1009
H6	2.1665	2.8927	2.8927	1.0985	3.4942		4.3180	1.7927	1.7927	3.7909	3.7909
H7	2.1665	2.8927	2.8927	3.4942	1.0985	4.3180		3.7909	3.7909	1.7927	1.7927
H8	2.1513	3.6988	2.8987	1.1009	2.7922	1.7927	3.7909		1.7981	3.1480	2.5839
H9	2.1513	2.8987	3.6988	1.1009	2.7922	1.7927	3.7909	1.7981		2.5839	3.1480
H10	2.1513	2.8987	3.6988	2.7922	1.1009	3.7909	1.7927	3.1480	2.5839		1.7981
H11	2.1513	3.6988	2.8987	2.7922	1.1009	3.7909	1.7927	2.5839	3.1480	1.7981

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.544	C1	C4	H8	109.197
C1	C4	H9	109.197	C1	C5	H7	110.544
C1	C5	H10	109.197	C1	C5	H11	109.197
Cl2	C1	Cl3	108.052	Cl2	C1	C4	108.722
Cl2	C1	C5	108.722	Cl3	C1	C4	108.722
Cl3	C1	C5	108.722	C4	C1	C5	113.756
H6	C4	H8	109.195	H6	C4	H9	109.195
H7	C5	H10	109.195	H7	C5	H11	109.195
H8	C4	H9	109.496	H10	C5	H11	109.496

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

using model chemistry: MP2/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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