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	hartrees
Energy at 0K	-1038.344205
Energy at 298.15K
HF Energy	-1038.344205
Nuclear repulsion energy	294.658131

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	3165	3165	9.95	74.94	0.74	0.85
2	A₁	3068	3068	13.82	233.85	0.01	0.01
3	A₁	1512	1512	3.53	14.67	0.74	0.85
4	A₁	1449	1449	7.77	0.53	0.69	0.82
5	A₁	1201	1201	41.38	1.89	0.30	0.46
6	A₁	943	943	8.91	6.20	0.75	0.86
7	A₁	578	578	17.32	12.74	0.04	0.08
8	A₁	376	376	1.16	2.56	0.50	0.66
9	A₁	264	264	0.82	4.61	0.63	0.77
10	A₂	3142	3142	0.00	12.94	0.75	0.86
11	A₂	1498	1498	0.00	18.02	0.75	0.86
12	A₂	1043	1043	0.00	1.65	0.75	0.86
13	A₂	289	289	0.00	1.62	0.75	0.86
14	A₂	275	275	0.00	0.00	0.75	0.86
15	B₁	3148	3148	24.33	135.49	0.75	0.86
16	B₁	1523	1523	7.59	0.02	0.75	0.86
17	B₁	1159	1159	97.97	3.67	0.75	0.86
18	B₁	682	682	106.79	13.90	0.75	0.86
19	B₁	370	370	3.36	1.92	0.75	0.86
20	B₁	313	313	0.02	0.02	0.75	0.86
21	B₂	3163	3163	6.56	39.32	0.75	0.86
22	B₂	3064	3064	5.82	0.96	0.75	0.86
23	B₂	1495	1495	4.99	0.00	0.75	0.86
24	B₂	1431	1431	18.82	1.63	0.75	0.86
25	B₂	1231	1231	6.74	0.42	0.75	0.86
26	B₂	968	968	0.13	1.42	0.75	0.86
27	B₂	395	395	2.84	0.90	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.343
Cl2	1.466	0.000	-0.720
Cl3	-1.466	0.000	-0.720
C4	0.000	1.267	1.175
C5	0.000	-1.267	1.175
H6	0.000	2.153	0.540
H7	0.000	-2.153	0.540
H8	-0.888	1.288	1.810
H9	0.888	1.288	1.810
H10	0.888	-1.288	1.810
H11	-0.888	-1.288	1.810

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8102	1.8102	1.5163	1.5163	2.1624	2.1624	2.1453	2.1453	2.1453	2.1453
Cl2	1.8102		2.9313	2.7101	2.7101	2.8936	2.8936	3.6880	2.8970	2.8970	3.6880
Cl3	1.8102	2.9313		2.7101	2.7101	2.8936	2.8936	2.8970	3.6880	3.6880	2.8970
C4	1.5163	2.7101	2.7101		2.5348	1.0898	3.4791	1.0922	1.0922	2.7794	2.7794
C5	1.5163	2.7101	2.7101	2.5348		3.4791	1.0898	2.7794	2.7794	1.0922	1.0922
H6	2.1624	2.8936	2.8936	1.0898	3.4791		4.3067	1.7746	1.7746	3.7745	3.7745
H7	2.1624	2.8936	2.8936	3.4791	1.0898	4.3067		3.7745	3.7745	1.7746	1.7746
H8	2.1453	3.6880	2.8970	1.0922	2.7794	1.7746	3.7745		1.7770	3.1302	2.5769
H9	2.1453	2.8970	3.6880	1.0922	2.7794	1.7746	3.7745	1.7770		2.5769	3.1302
H10	2.1453	2.8970	3.6880	2.7794	1.0922	3.7745	1.7746	3.1302	2.5769		1.7770
H11	2.1453	3.6880	2.8970	2.7794	1.0922	3.7745	1.7746	2.5769	3.1302	1.7770

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	111.092	C1	C4	H8	109.585
C1	C4	H9	109.585	C1	C5	H7	111.092
C1	C5	H10	109.585	C1	C5	H11	109.585
Cl2	C1	Cl3	108.127	Cl2	C1	C4	108.794
Cl2	C1	C5	108.794	Cl3	C1	C4	108.794
Cl3	C1	C5	108.794	C4	C1	C5	113.410
H6	C4	H8	108.834	H6	C4	H9	108.834
H7	C5	H10	108.834	H7	C5	H11	108.834
H8	C4	H9	108.872	H10	C5	H11	108.872

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

using model chemistry: wB97X-D/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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Number	Element	Mulliken
1	C	-0.290
2	Cl	-0.025
3	Cl	-0.025
4	C	-0.582
5	C	-0.582
6	H	0.265
7	H	0.265
8	H	0.244
9	H	0.244
10	H	0.244
11	H	0.244

<r²>	188.245
(<r²>)^1/2	13.720

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

using model chemistry: wB97X-D/6-311G*

States and conformations

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