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	hartrees
Energy at 0K	-1036.073135
Energy at 298.15K
HF Energy	-1036.073135
Nuclear repulsion energy	295.728938

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	3308	2986	12.64	77.71	0.73	0.84
2	A₁	3211	2898	18.05	209.20	0.01	0.02
3	A₁	1619	1461	1.74	24.97	0.75	0.86
4	A₁	1565	1413	3.32	1.48	0.45	0.62
5	A₁	1295	1169	34.65	1.94	0.43	0.60
6	A₁	1000	903	11.53	10.96	0.74	0.85
7	A₁	606	547	21.92	17.82	0.04	0.09
8	A₁	393	355	0.69	2.44	0.35	0.52
9	A₁	280	253	1.32	3.56	0.66	0.80
10	A₂	3280	2961	0.00	8.83	0.75	0.86
11	A₂	1607	1451	0.00	24.91	0.75	0.86
12	A₂	1125	1015	0.00	3.26	0.75	0.86
13	A₂	307	277	0.00	1.09	0.75	0.86
14	A₂	292	263	0.00	0.04	0.75	0.86
15	B₁	3288	2968	30.11	128.52	0.75	0.86
16	B₁	1629	1470	5.55	0.00	0.75	0.86
17	B₁	1250	1128	99.73	2.09	0.75	0.86
18	B₁	740	668	123.70	21.18	0.75	0.86
19	B₁	389	351	2.87	1.68	0.75	0.86
20	B₁	328	296	0.03	0.00	0.75	0.86
21	B₂	3306	2984	9.35	38.23	0.75	0.86
22	B₂	3205	2893	8.10	0.04	0.75	0.86
23	B₂	1605	1449	4.14	0.01	0.75	0.86
24	B₂	1547	1397	7.78	2.64	0.75	0.86
25	B₂	1312	1184	4.22	1.37	0.75	0.86
26	B₂	1035	934	0.23	3.50	0.75	0.86
27	B₂	421	380	4.16	1.42	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.336
Cl2	1.458	0.000	-0.718
Cl3	-1.458	0.000	-0.718
C4	0.000	1.268	1.175
C5	0.000	-1.268	1.175
H6	0.000	2.147	0.544
H7	0.000	-2.147	0.544
H8	-0.883	1.285	1.803
H9	0.883	1.285	1.803
H10	0.883	-1.285	1.803
H11	-0.883	-1.285	1.803

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.7986	1.7986	1.5206	1.5206	2.1570	2.1570	2.1407	2.1407	2.1407	2.1407
Cl2	1.7986		2.9150	2.7046	2.7046	2.8857	2.8857	3.6719	2.8872	2.8872	3.6719
Cl3	1.7986	2.9150		2.7046	2.7046	2.8857	2.8857	2.8872	3.6719	3.6719	2.8872
C4	1.5206	2.7046	2.7046		2.5367	1.0812	3.4729	1.0837	1.0837	2.7737	2.7737
C5	1.5206	2.7046	2.7046	2.5367		3.4729	1.0812	2.7737	2.7737	1.0837	1.0837
H6	2.1570	2.8857	2.8857	1.0812	3.4729		4.2939	1.7624	1.7624	3.7604	3.7604
H7	2.1570	2.8857	2.8857	3.4729	1.0812	4.2939		3.7604	3.7604	1.7624	1.7624
H8	2.1407	3.6719	2.8872	1.0837	2.7737	1.7624	3.7604		1.7656	3.1179	2.5699
H9	2.1407	2.8872	3.6719	1.0837	2.7737	1.7624	3.7604	1.7656		2.5699	3.1179
H10	2.1407	2.8872	3.6719	2.7737	1.0837	3.7604	1.7624	3.1179	2.5699		1.7656
H11	2.1407	3.6719	2.8872	2.7737	1.0837	3.7604	1.7624	2.5699	3.1179	1.7656

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.878	C1	C4	H8	109.425
C1	C4	H9	109.425	C1	C5	H7	110.878
C1	C5	H10	109.425	C1	C5	H11	109.425
Cl2	C1	Cl3	108.263	Cl2	C1	C4	108.856
Cl2	C1	C5	108.856	Cl3	C1	C4	108.856
Cl3	C1	C5	108.856	C4	C1	C5	113.049
H6	C4	H8	108.993	H6	C4	H9	108.993
H7	C5	H10	108.993	H7	C5	H11	108.993
H8	C4	H9	109.100	H10	C5	H11	109.100

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

using model chemistry: HF/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	-0.222
2	Cl	-0.037
3	Cl	-0.037
4	C	-0.301
5	C	-0.301
6	H	0.161
7	H	0.161
8	H	0.144
9	H	0.144
10	H	0.144
11	H	0.144

<r²>	187.117
(<r²>)^1/2	13.679

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

using model chemistry: HF/6-31G**

States and conformations

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