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	hartrees
Energy at 0K	-49.334553
Energy at 298.15K
HF Energy	-49.334553
Nuclear repulsion energy	100.621031

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	3343	3002	32.28	72.83	0.74	0.85
2	A₁	3247	2916	35.46	279.37	0.01	0.02
3	A₁	1618	1453	1.47	19.59	0.75	0.86
4	A₁	1561	1402	1.13	0.82	0.29	0.45
5	A₁	1291	1159	40.50	2.88	0.50	0.67
6	A₁	1006	904	11.51	10.74	0.74	0.85
7	A₁	600	539	22.70	18.08	0.04	0.08
8	A₁	383	344	0.45	3.58	0.47	0.64
9	A₁	273	245	1.17	4.56	0.68	0.81
10	A₂	3318	2979	0.00	7.78	0.75	0.86
11	A₂	1609	1445	0.00	21.30	0.75	0.86
12	A₂	1119	1005	0.00	5.05	0.75	0.86
13	A₂	300	270	0.00	1.42	0.75	0.86
14	A₂	289	259	0.00	0.27	0.75	0.86
15	B₁	3326	2987	64.74	130.64	0.75	0.86
16	B₁	1629	1463	4.51	0.20	0.75	0.86
17	B₁	1246	1119	111.63	2.00	0.75	0.86
18	B₁	756	678	134.64	17.70	0.75	0.86
19	B₁	380	341	2.00	3.05	0.75	0.86
20	B₁	323	291	0.02	0.00	0.75	0.86
21	B₂	3339	2999	17.98	46.00	0.75	0.86
22	B₂	3242	2911	17.62	0.25	0.75	0.86
23	B₂	1606	1442	3.29	0.04	0.75	0.86
24	B₂	1546	1389	2.17	1.04	0.75	0.86
25	B₂	1316	1182	4.06	2.19	0.75	0.86
26	B₂	1030	925	0.17	3.04	0.75	0.86
27	B₂	410	368	4.22	1.80	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.336
Cl2	1.465	0.000	-0.721
Cl3	-1.465	0.000	-0.721
C4	0.000	1.280	1.181
C5	0.000	-1.280	1.181
H6	0.000	2.161	0.545
H7	0.000	-2.161	0.545
H8	-0.888	1.294	1.812
H9	0.888	1.294	1.812
H10	0.888	-1.294	1.812
H11	-0.888	-1.294	1.812

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8063	1.8063	1.5335	1.5335	2.1710	2.1710	2.1546	2.1546	2.1546	2.1546
Cl2	1.8063		2.9296	2.7205	2.7205	2.9014	2.9014	3.6916	2.9023	2.9023	3.6916
Cl3	1.8063	2.9296		2.7205	2.7205	2.9014	2.9014	2.9023	3.6916	3.6916	2.9023
C4	1.5335	2.7205	2.7205		2.5591	1.0870	3.4987	1.0896	1.0896	2.7947	2.7947
C5	1.5335	2.7205	2.7205	2.5591		3.4987	1.0870	2.7947	2.7947	1.0896	1.0896
H6	2.1710	2.9014	2.9014	1.0870	3.4987		4.3218	1.7736	1.7736	3.7856	3.7856
H7	2.1710	2.9014	2.9014	3.4987	1.0870	4.3218		3.7856	3.7856	1.7736	1.7736
H8	2.1546	3.6916	2.9023	1.0896	2.7947	1.7736	3.7856		1.7766	3.1392	2.5881
H9	2.1546	2.9023	3.6916	1.0896	2.7947	1.7736	3.7856	1.7766		2.5881	3.1392
H10	2.1546	2.9023	3.6916	2.7947	1.0896	3.7856	1.7736	3.1392	2.5881		1.7766
H11	2.1546	3.6916	2.9023	2.7947	1.0896	3.7856	1.7736	2.5881	3.1392	1.7766

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.732	C1	C4	H8	109.283
C1	C4	H9	109.283	C1	C5	H7	110.732
C1	C5	H10	109.283	C1	C5	H11	109.283
Cl2	C1	Cl3	108.373	Cl2	C1	C4	108.815
Cl2	C1	C5	108.815	Cl3	C1	C4	108.815
Cl3	C1	C5	108.815	C4	C1	C5	113.106
H6	C4	H8	109.149	H6	C4	H9	109.149
H7	C5	H10	109.149	H7	C5	H11	109.149
H8	C4	H9	109.223	H10	C5	H11	109.223

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

using model chemistry: HF/CEP-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	-0.011
2	Cl	-0.140
3	Cl	-0.140
4	C	-0.281
5	C	-0.281
6	H	0.171
7	H	0.171
8	H	0.128
9	H	0.128
10	H	0.128
11	H	0.128

<r²>	122.308
(<r²>)^1/2	11.059

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

using model chemistry: HF/CEP-31G*

States and conformations

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