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	hartrees
Energy at 0K	-1026.901062
Energy at 298.15K
HF Energy	-1026.901062
Nuclear repulsion energy	288.270359

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	3540	3540	2.55	37.41	0.75	0.86
2	A₁	3356	3356	0.36	87.39	0.00	0.01
3	A₁	1664	1664	1.68	26.40	0.75	0.86
4	A₁	1574	1574	1.25	3.66	0.29	0.45
5	A₁	1302	1302	52.26	1.37	0.10	0.19
6	A₁	1007	1007	6.21	9.71	0.74	0.85
7	A₁	609	609	13.85	12.98	0.03	0.05
8	A₁	367	367	0.09	1.54	0.44	0.61
9	A₁	250	250	3.75	3.20	0.72	0.84
10	A₂	3527	3527	0.00	3.97	0.75	0.86
11	A₂	1659	1659	0.00	26.92	0.75	0.86
12	A₂	1114	1114	0.00	4.05	0.75	0.86
13	A₂	275	275	0.00	1.46	0.75	0.86
14	A₂	235	235	0.00	0.01	0.75	0.86
15	B₁	3529	3529	3.11	59.34	0.75	0.86
16	B₁	1671	1671	6.10	0.34	0.75	0.86
17	B₁	1270	1270	108.73	0.01	0.75	0.86
18	B₁	803	803	52.20	10.93	0.75	0.86
19	B₁	357	357	0.73	1.21	0.75	0.86
20	B₁	261	261	0.00	0.01	0.75	0.86
21	B₂	3539	3539	1.00	17.40	0.75	0.86
22	B₂	3355	3355	1.61	0.07	0.75	0.86
23	B₂	1656	1656	2.70	0.22	0.75	0.86
24	B₂	1560	1560	4.24	6.58	0.75	0.86
25	B₂	1313	1313	22.35	0.11	0.75	0.86
26	B₂	1041	1041	0.46	2.32	0.75	0.86
27	B₂	380	380	7.03	2.28	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.345
Cl2	1.505	0.000	-0.734
Cl3	-1.505	0.000	-0.734
C4	0.000	1.297	1.202
C5	0.000	-1.297	1.202
H6	0.000	2.184	0.555
H7	0.000	-2.184	0.555
H8	-0.897	1.310	1.838
H9	0.897	1.310	1.838
H10	0.897	-1.310	1.838
H11	-0.897	-1.310	1.838

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8519	1.8519	1.5545	1.5545	2.1944	2.1944	2.1793	2.1793	2.1793	2.1793
Cl2	1.8519		3.0110	2.7740	2.7740	2.9493	2.9493	3.7550	2.9495	2.9495	3.7550
Cl3	1.8519	3.0110		2.7740	2.7740	2.9493	2.9493	2.9495	3.7550	3.7550	2.9495
C4	1.5545	2.7740	2.7740		2.5938	1.0984	3.5409	1.0996	1.0996	2.8289	2.8289
C5	1.5545	2.7740	2.7740	2.5938		3.5409	1.0984	2.8289	2.8289	1.0996	1.0996
H6	2.1944	2.9493	2.9493	1.0984	3.5409		4.3687	1.7934	1.7934	3.8287	3.8287
H7	2.1944	2.9493	2.9493	3.5409	1.0984	4.3687		3.8287	3.8287	1.7934	1.7934
H8	2.1793	3.7550	2.9495	1.0996	2.8289	1.7934	3.8287		1.7937	3.1745	2.6191
H9	2.1793	2.9495	3.7550	1.0996	2.8289	1.7934	3.8287	1.7937		2.6191	3.1745
H10	2.1793	2.9495	3.7550	2.8289	1.0996	3.8287	1.7934	3.1745	2.6191		1.7937
H11	2.1793	3.7550	2.9495	2.8289	1.0996	3.8287	1.7934	2.6191	3.1745	1.7937

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.439	C1	C4	H8	109.183
C1	C4	H9	109.183	C1	C5	H7	110.439
C1	C5	H10	109.183	C1	C5	H11	109.183
Cl2	C1	Cl3	108.766	Cl2	C1	C4	108.730
Cl2	C1	C5	108.730	Cl3	C1	C4	108.730
Cl3	C1	C5	108.730	C4	C1	C5	113.077
H6	C4	H8	109.362	H6	C4	H9	109.362
H7	C5	H10	109.362	H7	C5	H11	109.362
H8	C4	H9	109.294	H10	C5	H11	109.294

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

using model chemistry: wB97X-D/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	0.101
2	Cl	-0.138
3	Cl	-0.138
4	C	-0.216
5	C	-0.216
6	H	0.106
7	H	0.106
8	H	0.099
9	H	0.099
10	H	0.099
11	H	0.099

<r²>	193.767
(<r²>)^1/2	13.920

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

using model chemistry: wB97X-D/STO-3G

States and conformations

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