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	hartrees
Energy at 0K	-1036.903031
Energy at 298.15K
HF Energy	-1036.126905
Nuclear repulsion energy	294.284321

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	3096	6.31	60.96	0.73	0.85
2	A₁	3076	2981	11.13	298.22	0.00	0.00
3	A₁	1480	1434	4.25	7.50	0.74	0.85
4	A₁	1404	1361	5.84	0.30	0.33	0.50
5	A₁	1181	1145	30.10	4.12	0.53	0.69
6	A₁	949	920	6.38	6.22	0.61	0.75
7	A₁	574	556	12.96	19.72	0.02	0.04
8	A₁	368	357	0.54	2.21	0.24	0.39
9	A₁	259	251	0.99	2.49	0.64	0.78
10	A₂	3171	3073	0.00	12.02	0.75	0.86
11	A₂	1469	1424	0.00	8.43	0.75	0.86
12	A₂	1014	983	0.00	0.15	0.75	0.86
13	A₂	290	281	0.00	1.20	0.75	0.86
14	A₂	272	263	0.00	0.03	0.75	0.86
15	B₁	3176	3078	15.08	104.38	0.75	0.86
16	B₁	1491	1445	5.44	0.04	0.75	0.86
17	B₁	1130	1096	72.93	5.06	0.75	0.86
18	B₁	686	665	77.68	11.10	0.75	0.86
19	B₁	366	354	2.22	1.32	0.75	0.86
20	B₁	311	302	0.01	0.00	0.75	0.86
21	B₂	3193	3095	3.34	28.89	0.75	0.86
22	B₂	3073	2978	4.04	2.52	0.75	0.86
23	B₂	1467	1421	3.06	0.03	0.75	0.86
24	B₂	1390	1347	16.53	0.06	0.75	0.86
25	B₂	1236	1198	3.46	2.61	0.75	0.86
26	B₂	950	921	0.01	0.85	0.75	0.86
27	B₂	395	382	2.51	0.93	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.344
Cl2	1.467	0.000	-0.719
Cl3	-1.467	0.000	-0.719
C4	0.000	1.273	1.174
C5	0.000	-1.273	1.174
H6	0.000	2.156	0.523
H7	0.000	-2.156	0.523
H8	-0.898	1.292	1.808
H9	0.898	1.292	1.808
H10	0.898	-1.292	1.808
H11	-0.898	-1.292	1.808

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8115	1.8115	1.5193	1.5193	2.1636	2.1636	2.1491	2.1491	2.1491	2.1491
Cl2	1.8115		2.9335	2.7118	2.7118	2.8882	2.8882	3.6943	2.8944	2.8944	3.6943
Cl3	1.8115	2.9335		2.7118	2.7118	2.8882	2.8882	2.8944	3.6943	3.6943	2.8944
C4	1.5193	2.7118	2.7118		2.5457	1.0975	3.4903	1.0999	1.0999	2.7903	2.7903
C5	1.5193	2.7118	2.7118	2.5457		3.4903	1.0975	2.7903	2.7903	1.0999	1.0999
H6	2.1636	2.8882	2.8882	1.0975	3.4903		4.3124	1.7910	1.7910	3.7877	3.7877
H7	2.1636	2.8882	2.8882	3.4903	1.0975	4.3124		3.7877	3.7877	1.7910	1.7910
H8	2.1491	3.6943	2.8944	1.0999	2.7903	1.7910	3.7877		1.7966	3.1465	2.5831
H9	2.1491	2.8944	3.6943	1.0999	2.7903	1.7910	3.7877	1.7966		2.5831	3.1465
H10	2.1491	2.8944	3.6943	2.7903	1.0999	3.7877	1.7910	3.1465	2.5831		1.7966
H11	2.1491	3.6943	2.8944	2.7903	1.0999	3.7877	1.7910	2.5831	3.1465	1.7966

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.506	C1	C4	H8	109.222
C1	C4	H9	109.222	C1	C5	H7	110.506
C1	C5	H10	109.222	C1	C5	H11	109.222
Cl2	C1	Cl3	108.131	Cl2	C1	C4	108.690
Cl2	C1	C5	108.690	Cl3	C1	C4	108.690
Cl3	C1	C5	108.690	C4	C1	C5	113.810
H6	C4	H8	109.182	H6	C4	H9	109.182
H7	C5	H10	109.182	H7	C5	H11	109.182
H8	C4	H9	109.512	H10	C5	H11	109.512

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

using model chemistry: MP2=FULL/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=FULL/aug-cc-pVDZ

States and conformations

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