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	hartrees
Energy at 0K	-1038.345026
Energy at 298.15K
HF Energy	-1038.345026
Nuclear repulsion energy	295.599448

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	3202	3040	6.25	75.76	0.73	0.85
2	A₁	3097	2940	10.47	218.07	0.01	0.01
3	A₁	1516	1439	2.41	25.34	0.75	0.86
4	A₁	1445	1372	7.37	3.18	0.34	0.51
5	A₁	1197	1137	38.81	1.14	0.12	0.22
6	A₁	945	897	9.64	7.44	0.75	0.86
7	A₁	572	543	19.63	13.97	0.04	0.08
8	A₁	363	345	0.62	2.27	0.37	0.55
9	A₁	256	243	1.37	4.02	0.65	0.79
10	A₂	3177	3016	0.00	11.77	0.75	0.86
11	A₂	1504	1427	0.00	26.89	0.75	0.86
12	A₂	1035	983	0.00	3.21	0.75	0.86
13	A₂	284	270	0.00	0.89	0.75	0.86
14	A₂	275	261	0.00	0.41	0.75	0.86
15	B₁	3182	3020	17.33	129.20	0.75	0.86
16	B₁	1525	1448	7.48	0.02	0.75	0.86
17	B₁	1152	1094	92.83	0.80	0.75	0.86
18	B₁	668	634	108.30	13.14	0.75	0.86
19	B₁	360	341	2.54	1.37	0.75	0.86
20	B₁	311	295	0.01	0.00	0.75	0.86
21	B₂	3201	3039	4.21	37.92	0.75	0.86
22	B₂	3094	2937	4.05	0.89	0.75	0.86
23	B₂	1500	1424	4.48	0.10	0.75	0.86
24	B₂	1429	1357	16.90	5.74	0.75	0.86
25	B₂	1240	1177	8.02	0.16	0.75	0.86
26	B₂	964	915	0.11	2.00	0.75	0.86
27	B₂	387	367	4.11	1.42	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.339
Cl2	1.463	0.000	-0.715
Cl3	-1.463	0.000	-0.715
C4	0.000	1.266	1.168
C5	0.000	-1.266	1.168
H6	0.000	2.148	0.529
H7	0.000	-2.148	0.529
H8	-0.889	1.286	1.801
H9	0.889	1.286	1.801
H10	0.889	-1.286	1.801
H11	-0.889	-1.286	1.801

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8025	1.8025	1.5129	1.5129	2.1564	2.1564	2.1405	2.1405	2.1405	2.1405
Cl2	1.8025		2.9252	2.6990	2.6990	2.8808	2.8808	3.6761	2.8828	2.8828	3.6761
Cl3	1.8025	2.9252		2.6990	2.6990	2.8808	2.8808	2.8828	3.6761	3.6761	2.8828
C4	1.5129	2.6990	2.6990		2.5314	1.0895	3.4731	1.0920	1.0920	2.7752	2.7752
C5	1.5129	2.6990	2.6990	2.5314		3.4731	1.0895	2.7752	2.7752	1.0920	1.0920
H6	2.1564	2.8808	2.8808	1.0895	3.4731		4.2961	1.7758	1.7758	3.7683	3.7683
H7	2.1564	2.8808	2.8808	3.4731	1.0895	4.2961		3.7683	3.7683	1.7758	1.7758
H8	2.1405	3.6761	2.8828	1.0920	2.7752	1.7758	3.7683		1.7787	3.1266	2.5713
H9	2.1405	2.8828	3.6761	1.0920	2.7752	1.7758	3.7683	1.7787		2.5713	3.1266
H10	2.1405	2.8828	3.6761	2.7752	1.0920	3.7683	1.7758	3.1266	2.5713		1.7787
H11	2.1405	3.6761	2.8828	2.7752	1.0920	3.7683	1.7758	2.5713	3.1266	1.7787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.867	C1	C4	H8	109.453
C1	C4	H9	109.453	C1	C5	H7	110.867
C1	C5	H10	109.453	C1	C5	H11	109.453
Cl2	C1	Cl3	108.466	Cl2	C1	C4	108.675
Cl2	C1	C5	108.675	Cl3	C1	C4	108.675
Cl3	C1	C5	108.675	C4	C1	C5	113.563
H6	C4	H8	108.990	H6	C4	H9	108.990
H7	C5	H10	108.990	H7	C5	H11	108.990
H8	C4	H9	109.060	H10	C5	H11	109.060

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

using model chemistry: B1B95/6-31G*

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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Number	Element	Mulliken
1	C	-0.235
2	Cl	-0.014
3	Cl	-0.014
4	C	-0.462
5	C	-0.462
6	H	0.208
7	H	0.208
8	H	0.193
9	H	0.193
10	H	0.193
11	H	0.193

<r²>	186.573
(<r²>)^1/2	13.659

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

using model chemistry: B1B95/6-31G*

States and conformations

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