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	hartrees
Energy at 0K	-1037.687300
Energy at 298.15K
HF Energy	-1037.563116
Nuclear repulsion energy	286.863903

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	3193	3193	5.13	73.40	0.73	0.84
2	A₁	3085	3085	11.23	231.64	0.01	0.02
3	A₁	1547	1547	2.96	30.06	0.75	0.86
4	A₁	1491	1491	6.74	4.04	0.35	0.52
5	A₁	1233	1233	45.53	2.82	0.04	0.07
6	A₁	932	932	11.68	9.38	0.71	0.83
7	A₁	525	525	23.18	19.83	0.05	0.10
8	A₁	363	363	2.04	4.47	0.28	0.43
9	A₁	240	240	1.42	6.46	0.65	0.79
10	A₂	3161	3161	0.00	12.46	0.75	0.86
11	A₂	1540	1540	0.00	32.82	0.75	0.86
12	A₂	1071	1071	0.00	3.97	0.75	0.86
13	A₂	279	279	0.00	1.94	0.75	0.86
14	A₂	264	264	0.00	0.02	0.75	0.86
15	B₁	3167	3167	15.61	141.25	0.75	0.86
16	B₁	1557	1557	12.53	0.06	0.75	0.86
17	B₁	1188	1188	101.98	2.11	0.75	0.86
18	B₁	599	599	113.60	20.01	0.75	0.86
19	B₁	358	358	4.30	3.44	0.75	0.86
20	B₁	293	293	0.03	0.00	0.75	0.86
21	B₂	3191	3191	5.10	37.99	0.75	0.86
22	B₂	3080	3080	2.56	1.98	0.75	0.86
23	B₂	1533	1533	7.52	0.05	0.75	0.86
24	B₂	1476	1476	19.51	7.84	0.75	0.86
25	B₂	1259	1259	14.49	0.46	0.75	0.86
26	B₂	999	999	0.07	1.30	0.75	0.86
27	B₂	378	378	4.88	2.45	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.389
Cl2	1.527	0.000	-0.739
Cl3	-1.527	0.000	-0.739
C4	0.000	1.284	1.198
C5	0.000	-1.284	1.198
H6	0.000	2.160	0.549
H7	0.000	-2.160	0.549
H8	-0.891	1.313	1.832
H9	0.891	1.313	1.832
H10	0.891	-1.313	1.832
H11	-0.891	-1.313	1.832

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8984	1.8984	1.5178	1.5178	2.1659	2.1659	2.1453	2.1453	2.1453	2.1453
Cl2	1.8984		3.0534	2.7811	2.7811	2.9420	2.9420	3.7663	2.9567	2.9567	3.7663
Cl3	1.8984	3.0534		2.7811	2.7811	2.9420	2.9420	2.9567	3.7663	3.7663	2.9567
C4	1.5178	2.7811	2.7811		2.5676	1.0909	3.5046	1.0941	1.0941	2.8178	2.8178
C5	1.5178	2.7811	2.7811	2.5676		3.5046	1.0909	2.8178	2.8178	1.0941	1.0941
H6	2.1659	2.9420	2.9420	1.0909	3.5046		4.3199	1.7776	1.7776	3.8085	3.8085
H7	2.1659	2.9420	2.9420	3.5046	1.0909	4.3199		3.8085	3.8085	1.7776	1.7776
H8	2.1453	3.7663	2.9567	1.0941	2.8178	1.7776	3.8085		1.7825	3.1739	2.6261
H9	2.1453	2.9567	3.7663	1.0941	2.8178	1.7776	3.8085	1.7825		2.6261	3.1739
H10	2.1453	2.9567	3.7663	2.8178	1.0941	3.8085	1.7776	3.1739	2.6261		1.7825
H11	2.1453	3.7663	2.9567	2.8178	1.0941	3.8085	1.7776	2.6261	3.1739	1.7825

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	111.198	C1	C4	H8	109.371
C1	C4	H9	109.371	C1	C5	H7	111.198
C1	C5	H10	109.371	C1	C5	H11	109.371
Cl2	C1	Cl3	107.069	Cl2	C1	C4	108.483
Cl2	C1	C5	108.483	Cl3	C1	C4	108.483
Cl3	C1	C5	108.483	C4	C1	C5	115.528
H6	C4	H8	108.889	H6	C4	H9	108.889
H7	C5	H10	108.889	H7	C5	H11	108.889
H8	C4	H9	109.090	H10	C5	H11	109.090

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

using model chemistry: B2PLYP/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	-0.334
2	Cl	0.002
3	Cl	0.002
4	C	-0.372
5	C	-0.372
6	H	0.190
7	H	0.190
8	H	0.173
9	H	0.173
10	H	0.173
11	H	0.173

<r²>	197.681
(<r²>)^1/2	14.060

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

using model chemistry: B2PLYP/6-31G

States and conformations

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