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	hartrees
Energy at 0K	-1037.880316
Energy at 298.15K
HF Energy	-1037.647541
Nuclear repulsion energy	294.116835

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	3196	3044	7.75	73.13	0.73	0.85
2	A₁	3093	2946	13.28	265.09	0.00	0.01
3	A₁	1515	1443	3.83	13.53	0.74	0.85
4	A₁	1452	1383	5.62	1.41	0.29	0.46
5	A₁	1202	1145	34.18	3.68	0.27	0.42
6	A₁	938	894	10.23	8.10	0.73	0.84
7	A₁	567	540	17.06	19.15	0.02	0.05
8	A₁	371	353	0.75	2.87	0.30	0.46
9	A₁	259	247	1.04	3.34	0.69	0.82
10	A₂	3172	3021	0.00	12.43	0.75	0.86
11	A₂	1503	1432	0.00	15.17	0.75	0.86
12	A₂	1045	995	0.00	0.83	0.75	0.86
13	A₂	288	274	0.00	1.28	0.75	0.86
14	A₂	274	261	0.00	0.14	0.75	0.86
15	B₁	3177	3026	19.44	124.34	0.75	0.86
16	B₁	1524	1451	7.99	0.02	0.75	0.86
17	B₁	1160	1104	84.24	2.92	0.75	0.86
18	B₁	665	633	103.59	13.87	0.75	0.86
19	B₁	367	350	3.30	2.00	0.75	0.86
20	B₁	309	295	0.01	0.00	0.75	0.86
21	B₂	3195	3043	5.00	34.94	0.75	0.86
22	B₂	3089	2942	6.14	2.05	0.75	0.86
23	B₂	1501	1430	4.59	0.01	0.75	0.86
24	B₂	1434	1365	14.72	1.97	0.75	0.86
25	B₂	1232	1173	6.17	2.11	0.75	0.86
26	B₂	968	922	0.00	1.68	0.75	0.86
27	B₂	395	376	3.04	1.36	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.342
Cl2	1.470	0.000	-0.720
Cl3	-1.470	0.000	-0.720
C4	0.000	1.271	1.176
C5	0.000	-1.271	1.176
H6	0.000	2.154	0.540
H7	0.000	-2.154	0.540
H8	-0.889	1.289	1.809
H9	0.889	1.289	1.809
H10	0.889	-1.289	1.809
H11	-0.889	-1.289	1.809

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8140	1.8140	1.5200	1.5200	2.1631	2.1631	2.1452	2.1452	2.1452	2.1452
Cl2	1.8140		2.9407	2.7153	2.7153	2.8963	2.8963	3.6909	2.8971	2.8971	3.6909
Cl3	1.8140	2.9407		2.7153	2.7153	2.8963	2.8963	2.8971	3.6909	3.6909	2.8971
C4	1.5200	2.7153	2.7153		2.5415	1.0889	3.4835	1.0913	1.0913	2.7823	2.7823
C5	1.5200	2.7153	2.7153	2.5415		3.4835	1.0889	2.7823	2.7823	1.0913	1.0913
H6	2.1631	2.8963	2.8963	1.0889	3.4835		4.3081	1.7749	1.7749	3.7754	3.7754
H7	2.1631	2.8963	2.8963	3.4835	1.0889	4.3081		3.7754	3.7754	1.7749	1.7749
H8	2.1452	3.6909	2.8971	1.0913	2.7823	1.7749	3.7754		1.7784	3.1314	2.5774
H9	2.1452	2.8971	3.6909	1.0913	2.7823	1.7749	3.7754	1.7784		2.5774	3.1314
H10	2.1452	2.8971	3.6909	2.7823	1.0913	3.7754	1.7749	3.1314	2.5774		1.7784
H11	2.1452	3.6909	2.8971	2.7823	1.0913	3.7754	1.7749	2.5774	3.1314	1.7784

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.936	C1	C4	H8	109.373
C1	C4	H9	109.373	C1	C5	H7	110.936
C1	C5	H10	109.373	C1	C5	H11	109.373
Cl2	C1	Cl3	108.301	Cl2	C1	C4	108.744
Cl2	C1	C5	108.744	Cl3	C1	C4	108.744
Cl3	C1	C5	108.744	C4	C1	C5	113.446
H6	C4	H8	108.999	H6	C4	H9	108.999
H7	C5	H10	108.999	H7	C5	H11	108.999
H8	C4	H9	109.135	H10	C5	H11	109.135

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

using model chemistry: B2PLYP/6-31+G**

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	0.078
2	Cl	-0.056
3	Cl	-0.056
4	C	-0.495
5	C	-0.495
6	H	0.180
7	H	0.180
8	H	0.166
9	H	0.166
10	H	0.166
11	H	0.166

<r²>	189.070
(<r²>)^1/2	13.750

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

using model chemistry: B2PLYP/6-31+G**

States and conformations

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