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	hartrees
Energy at 0K	-1036.144150
Energy at 298.15K
HF Energy	-1036.144150
Nuclear repulsion energy	295.652370

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	3283	2982	14.14	73.87	0.73	0.84
2	A₁	3191	2899	18.53	235.77	0.01	0.02
3	A₁	1609	1462	2.49	13.90	0.74	0.85
4	A₁	1555	1412	2.59	0.30	0.59	0.74
5	A₁	1287	1169	38.99	2.62	0.50	0.67
6	A₁	996	905	10.70	9.03	0.74	0.85
7	A₁	602	547	21.56	16.42	0.05	0.09
8	A₁	392	356	1.01	2.63	0.47	0.64
9	A₁	280	255	0.86	4.07	0.64	0.78
10	A₂	3255	2957	0.00	10.89	0.75	0.86
11	A₂	1597	1451	0.00	15.46	0.75	0.86
12	A₂	1119	1017	0.00	1.83	0.75	0.86
13	A₂	306	278	0.00	1.37	0.75	0.86
14	A₂	291	264	0.00	0.01	0.75	0.86
15	B₁	3263	2965	33.58	132.91	0.75	0.86
16	B₁	1617	1469	4.96	0.00	0.75	0.86
17	B₁	1241	1127	104.88	5.00	0.75	0.86
18	B₁	731	664	129.80	21.29	0.75	0.86
19	B₁	388	352	3.63	2.03	0.75	0.86
20	B₁	328	298	0.03	0.00	0.75	0.86
21	B₂	3280	2980	9.73	39.52	0.75	0.86
22	B₂	3185	2893	6.61	0.34	0.75	0.86
23	B₂	1594	1448	3.73	0.01	0.75	0.86
24	B₂	1537	1396	7.30	0.48	0.75	0.86
25	B₂	1306	1187	3.90	1.93	0.75	0.86
26	B₂	1031	936	0.20	2.65	0.75	0.86
27	B₂	417	379	3.45	0.89	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.340
Cl2	1.458	0.000	-0.718
Cl3	-1.458	0.000	-0.718
C4	0.000	1.269	1.174
C5	0.000	-1.269	1.174
H6	0.000	2.145	0.541
H7	0.000	-2.145	0.541
H8	-0.883	1.287	1.802
H9	0.883	1.287	1.802
H10	0.883	-1.287	1.802
H11	-0.883	-1.287	1.802

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8014	1.8014	1.5185	1.5185	2.1547	2.1547	2.1389	2.1389	2.1389	2.1389
Cl2	1.8014		2.9154	2.7049	2.7049	2.8832	2.8832	3.6729	2.8878	2.8878	3.6729
Cl3	1.8014	2.9154		2.7049	2.7049	2.8832	2.8832	2.8878	3.6729	3.6729	2.8878
C4	1.5185	2.7049	2.7049		2.5377	1.0813	3.4725	1.0840	1.0840	2.7762	2.7762
C5	1.5185	2.7049	2.7049	2.5377		3.4725	1.0813	2.7762	2.7762	1.0840	1.0840
H6	2.1547	2.8832	2.8832	1.0813	3.4725		4.2907	1.7630	1.7630	3.7620	3.7620
H7	2.1547	2.8832	2.8832	3.4725	1.0813	4.2907		3.7620	3.7620	1.7630	1.7630
H8	2.1389	3.6729	2.8878	1.0840	2.7762	1.7630	3.7620		1.7667	3.1220	2.5740
H9	2.1389	2.8878	3.6729	1.0840	2.7762	1.7630	3.7620	1.7667		2.5740	3.1220
H10	2.1389	2.8878	3.6729	2.7762	1.0840	3.7620	1.7630	3.1220	2.5740		1.7667
H11	2.1389	3.6729	2.8878	2.7762	1.0840	3.7620	1.7630	2.5740	3.1220	1.7667

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.831	C1	C4	H8	109.406
C1	C4	H9	109.406	C1	C5	H7	110.831
C1	C5	H10	109.406	C1	C5	H11	109.406
Cl2	C1	Cl3	108.040	Cl2	C1	C4	108.828
Cl2	C1	C5	108.828	Cl3	C1	C4	108.828
Cl3	C1	C5	108.828	C4	C1	C5	113.359
H6	C4	H8	109.011	H6	C4	H9	109.011
H7	C5	H10	109.011	H7	C5	H11	109.011
H8	C4	H9	109.151	H10	C5	H11	109.151

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

using model chemistry: HF/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	-0.323
2	Cl	-0.068
3	Cl	-0.068
4	C	-0.143
5	C	-0.143
6	H	0.139
7	H	0.139
8	H	0.117
9	H	0.117
10	H	0.117
11	H	0.117

<r²>	187.462
(<r²>)^1/2	13.692

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

using model chemistry: HF/6-311G**

States and conformations

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