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	hartrees
Energy at 0K	-1037.704142
Energy at 298.15K
HF Energy	-1037.704142
Nuclear repulsion energy	286.209207

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	3119	3076	4.24	78.02	0.72	0.84
2	A₁	3003	2962	9.40	265.04	0.01	0.01
3	A₁	1481	1461	2.56	28.55	0.75	0.86
4	A₁	1420	1400	10.67	6.08	0.28	0.44
5	A₁	1175	1159	56.14	2.99	0.02	0.04
6	A₁	905	892	13.56	7.66	0.64	0.78
7	A₁	514	507	25.40	18.66	0.05	0.09
8	A₁	353	348	2.59	4.32	0.29	0.45
9	A₁	232	229	1.50	6.69	0.64	0.78
10	A₂	3084	3041	0.00	17.55	0.75	0.86
11	A₂	1475	1454	0.00	33.72	0.75	0.86
12	A₂	1017	1003	0.00	3.16	0.75	0.86
13	A₂	271	267	0.00	2.08	0.75	0.86
14	A₂	259	255	0.00	0.04	0.75	0.86
15	B₁	3090	3047	14.79	151.29	0.75	0.86
16	B₁	1494	1473	12.71	0.17	0.75	0.86
17	B₁	1130	1115	108.10	1.65	0.75	0.86
18	B₁	565	557	121.85	13.89	0.75	0.86
19	B₁	349	344	6.55	3.24	0.75	0.86
20	B₁	286	282	0.01	0.00	0.75	0.86
21	B₂	3117	3074	4.08	40.90	0.75	0.86
22	B₂	2999	2958	1.79	5.87	0.75	0.86
23	B₂	1465	1445	7.56	0.18	0.75	0.86
24	B₂	1406	1387	28.22	10.56	0.75	0.86
25	B₂	1223	1206	23.51	1.58	0.75	0.86
26	B₂	954	941	0.01	0.64	0.75	0.86
27	B₂	368	363	5.22	2.47	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.392
Cl2	1.531	0.000	-0.739
Cl3	-1.531	0.000	-0.739
C4	0.000	1.287	1.196
C5	0.000	-1.287	1.196
H6	0.000	2.168	0.539
H7	0.000	-2.168	0.539
H8	-0.898	1.319	1.836
H9	0.898	1.319	1.836
H10	0.898	-1.319	1.836
H11	-0.898	-1.319	1.836

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.9036	1.9036	1.5175	1.5175	2.1732	2.1732	2.1521	2.1521	2.1521	2.1521
Cl2	1.9036		3.0624	2.7830	2.7830	2.9459	2.9459	3.7777	2.9616	2.9616	3.7777
Cl3	1.9036	3.0624		2.7830	2.7830	2.9459	2.9459	2.9616	3.7777	3.7777	2.9616
C4	1.5175	2.7830	2.7830		2.5741	1.0993	3.5173	1.1030	1.1030	2.8301	2.8301
C5	1.5175	2.7830	2.7830	2.5741		3.5173	1.0993	2.8301	2.8301	1.1030	1.1030
H6	2.1732	2.9459	2.9459	1.0993	3.5173		4.3365	1.7914	1.7914	3.8279	3.8279
H7	2.1732	2.9459	2.9459	3.5173	1.0993	4.3365		3.8279	3.8279	1.7914	1.7914
H8	2.1521	3.7777	2.9616	1.1030	2.8301	1.7914	3.8279		1.7959	3.1921	2.6389
H9	2.1521	2.9616	3.7777	1.1030	2.8301	1.7914	3.8279	1.7959		2.6389	3.1921
H10	2.1521	2.9616	3.7777	2.8301	1.1030	3.8279	1.7914	3.1921	2.6389		1.7959
H11	2.1521	3.7777	2.9616	2.8301	1.1030	3.8279	1.7914	2.6389	3.1921	1.7959

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	111.291	C1	C4	H8	109.401
C1	C4	H9	109.401	C1	C5	H7	111.291
C1	C5	H10	109.401	C1	C5	H11	109.401
Cl2	C1	Cl3	107.095	Cl2	C1	C4	108.347
Cl2	C1	C5	108.347	Cl3	C1	C4	108.347
Cl3	C1	C5	108.347	C4	C1	C5	116.019
H6	C4	H8	108.857	H6	C4	H9	108.857
H7	C5	H10	108.857	H7	C5	H11	108.857
H8	C4	H9	108.998	H10	C5	H11	108.998

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

using model chemistry: PBEPBE/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	-0.387
2	Cl	0.018
3	Cl	0.018
4	C	-0.404
5	C	-0.404
6	H	0.204
7	H	0.204
8	H	0.188
9	H	0.188
10	H	0.188
11	H	0.188

<r²>	197.951
(<r²>)^1/2	14.070

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

using model chemistry: PBEPBE/6-31G

States and conformations

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