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	hartrees
Energy at 0K	-1024.884079
Energy at 298.15K
HF Energy	-1024.884079
Nuclear repulsion energy	291.130360

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	3772	3080	2.44	38.95	0.75	0.86
2	A₁	3579	2923	0.08	83.56	0.01	0.02
3	A₁	1797	1467	0.83	28.57	0.75	0.86
4	A₁	1714	1400	0.00	2.55	0.27	0.42
5	A₁	1418	1158	49.52	2.17	0.31	0.47
6	A₁	1102	900	7.15	13.06	0.74	0.85
7	A₁	660	539	18.50	15.74	0.03	0.06
8	A₁	392	320	0.00	1.50	0.47	0.64
9	A₁	274	224	4.43	2.89	0.73	0.85
10	A₂	3761	3071	0.00	3.26	0.75	0.86
11	A₂	1792	1463	0.00	27.74	0.75	0.86
12	A₂	1211	989	0.00	5.02	0.75	0.86
13	A₂	296	242	0.00	1.36	0.75	0.86
14	A₂	253	207	0.00	0.01	0.75	0.86
15	B₁	3762	3072	3.10	60.65	0.75	0.86
16	B₁	1802	1471	3.36	0.55	0.75	0.86
17	B₁	1383	1130	119.23	0.37	0.75	0.86
18	B₁	904	738	61.38	16.88	0.75	0.86
19	B₁	382	312	0.27	1.15	0.75	0.86
20	B₁	279	228	0.00	0.01	0.75	0.86
21	B₂	3770	3078	1.18	17.89	0.75	0.86
22	B₂	3578	2922	0.87	0.85	0.75	0.86
23	B₂	1790	1461	1.85	0.31	0.75	0.86
24	B₂	1700	1388	0.30	4.76	0.75	0.86
25	B₂	1430	1168	16.61	1.26	0.75	0.86
26	B₂	1132	925	0.67	3.79	0.75	0.86
27	B₂	411	335	9.32	2.09	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.339
Cl2	1.486	0.000	-0.728
Cl3	-1.486	0.000	-0.728
C4	0.000	1.290	1.193
C5	0.000	-1.290	1.193
H6	0.000	2.167	0.553
H7	0.000	-2.167	0.553
H8	-0.886	1.306	1.822
H9	0.886	1.306	1.822
H10	0.886	-1.306	1.822
H11	-0.886	-1.306	1.822

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8291	1.8291	1.5476	1.5476	2.1776	2.1776	2.1653	2.1653	2.1653	2.1653
Cl2	1.8291		2.9712	2.7502	2.7502	2.9232	2.9232	3.7190	2.9269	2.9269	3.7190
Cl3	1.8291	2.9712		2.7502	2.7502	2.9232	2.9232	2.9269	3.7190	3.7190	2.9269
C4	1.5476	2.7502	2.7502		2.5808	1.0854	3.5162	1.0864	1.0864	2.8141	2.8141
C5	1.5476	2.7502	2.7502	2.5808		3.5162	1.0854	2.8141	2.8141	1.0864	1.0864
H6	2.1776	2.9232	2.9232	1.0854	3.5162		4.3341	1.7710	1.7710	3.8018	3.8018
H7	2.1776	2.9232	2.9232	3.5162	1.0854	4.3341		3.8018	3.8018	1.7710	1.7710
H8	2.1653	3.7190	2.9269	1.0864	2.8141	1.7710	3.8018		1.7718	3.1556	2.6112
H9	2.1653	2.9269	3.7190	1.0864	2.8141	1.7710	3.8018	1.7718		2.6112	3.1556
H10	2.1653	2.9269	3.7190	2.8141	1.0864	3.8018	1.7710	3.1556	2.6112		1.7718
H11	2.1653	3.7190	2.9269	2.8141	1.0864	3.8018	1.7710	2.6112	3.1556	1.7718

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.359	C1	C4	H8	109.335
C1	C4	H9	109.335	C1	C5	H7	110.359
C1	C5	H10	109.335	C1	C5	H11	109.335
Cl2	C1	Cl3	108.622	Cl2	C1	C4	108.787
Cl2	C1	C5	108.787	Cl3	C1	C4	108.787
Cl3	C1	C5	108.787	C4	C1	C5	112.985
H6	C4	H8	109.262	H6	C4	H9	109.262
H7	C5	H10	109.262	H7	C5	H11	109.262
H8	C4	H9	109.269	H10	C5	H11	109.269

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

using model chemistry: HF/STO-3G

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	0.137
2	Cl	-0.159
3	Cl	-0.159
4	C	-0.174
5	C	-0.174
6	H	0.093
7	H	0.093
8	H	0.086
9	H	0.086
10	H	0.086
11	H	0.086

<r²>	190.876
(<r²>)^1/2	13.816

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

using model chemistry: HF/STO-3G

States and conformations

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