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	hartrees
Energy at 0K	-1036.992389
Energy at 298.15K
HF Energy	-1036.134865
Nuclear repulsion energy	296.452850

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	3205	3036	7.02	68.63	0.75	0.86
2	A₁	3096	2932	9.59	219.49	0.00	0.01
3	A₁	1527	1446	4.04	14.29	0.74	0.85
4	A₁	1464	1387	9.28	0.52	0.52	0.68
5	A₁	1223	1158	35.57	1.80	0.41	0.58
6	A₁	970	919	6.01	6.16	0.75	0.86
7	A₁	592	561	12.52	11.22	0.04	0.08
8	A₁	380	360	0.69	2.28	0.53	0.69
9	A₁	273	259	0.70	4.34	0.64	0.78
10	A₂	3187	3018	0.00	11.60	0.75	0.86
11	A₂	1512	1432	0.00	17.54	0.75	0.86
12	A₂	1055	999	0.00	1.76	0.75	0.86
13	A₂	303	287	0.00	0.80	0.75	0.86
14	A₂	294	278	0.00	0.73	0.75	0.86
15	B₁	3192	3023	16.54	123.47	0.75	0.86
16	B₁	1536	1455	7.90	0.00	0.75	0.86
17	B₁	1180	1118	87.30	3.69	0.75	0.86
18	B₁	724	686	80.69	13.47	0.75	0.86
19	B₁	377	357	1.95	1.46	0.75	0.86
20	B₁	338	320	0.02	0.01	0.75	0.86
21	B₂	3203	3034	3.62	38.18	0.75	0.86
22	B₂	3092	2929	4.10	0.24	0.75	0.86
23	B₂	1510	1430	5.08	0.00	0.75	0.86
24	B₂	1445	1369	22.15	1.29	0.75	0.86
25	B₂	1255	1189	5.29	0.66	0.75	0.86
26	B₂	984	932	0.23	1.70	0.75	0.86
27	B₂	401	379	2.31	0.81	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.332
Cl2	1.457	0.000	-0.711
Cl3	-1.457	0.000	-0.711
C4	0.000	1.266	1.163
C5	0.000	-1.266	1.163
H6	0.000	2.147	0.522
H7	0.000	-2.147	0.522
H8	-0.890	1.288	1.794
H9	0.890	1.288	1.794
H10	0.890	-1.288	1.794
H11	-0.890	-1.288	1.794

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.7921	1.7921	1.5143	1.5143	2.1554	2.1554	2.1427	2.1427	2.1427	2.1427
Cl2	1.7921		2.9149	2.6905	2.6905	2.8731	2.8731	3.6673	2.8736	2.8736	3.6673
Cl3	1.7921	2.9149		2.6905	2.6905	2.8731	2.8731	2.8736	3.6673	3.6673	2.8736
C4	1.5143	2.6905	2.6905		2.5313	1.0897	3.4723	1.0917	1.0917	2.7773	2.7773
C5	1.5143	2.6905	2.6905	2.5313		3.4723	1.0897	2.7773	2.7773	1.0917	1.0917
H6	2.1554	2.8731	2.8731	1.0897	3.4723		4.2940	1.7744	1.7744	3.7698	3.7698
H7	2.1554	2.8731	2.8731	3.4723	1.0897	4.2940		3.7698	3.7698	1.7744	1.7744
H8	2.1427	3.6673	2.8736	1.0917	2.7773	1.7744	3.7698		1.7810	3.1320	2.5763
H9	2.1427	2.8736	3.6673	1.0917	2.7773	1.7744	3.7698	1.7810		2.5763	3.1320
H10	2.1427	2.8736	3.6673	2.7773	1.0917	3.7698	1.7744	3.1320	2.5763		1.7810
H11	2.1427	3.6673	2.8736	2.7773	1.0917	3.7698	1.7744	2.5763	3.1320	1.7810

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.677	C1	C4	H8	109.551
C1	C4	H9	109.551	C1	C5	H7	110.677
C1	C5	H10	109.551	C1	C5	H11	109.551
Cl2	C1	Cl3	108.829	Cl2	C1	C4	108.631
Cl2	C1	C5	108.631	Cl3	C1	C4	108.631
Cl3	C1	C5	108.631	C4	C1	C5	113.402
H6	C4	H8	108.865	H6	C4	H9	108.865
H7	C5	H10	108.865	H7	C5	H11	108.865
H8	C4	H9	109.306	H10	C5	H11	109.306

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

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

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