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	hartrees
Energy at 0K	-1033.176066
Energy at 298.15K
HF Energy	-1033.176066
Nuclear repulsion energy	289.822377

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	3179	3047	0.81	65.14	0.75	0.85
2	A₁	3092	2964	3.54	194.81	0.01	0.01
3	A₁	1550	1486	3.89	29.38	0.75	0.86
4	A₁	1481	1420	11.53	3.22	0.44	0.61
5	A₁	1229	1178	48.86	2.77	0.06	0.12
6	A₁	942	903	11.46	9.01	0.70	0.82
7	A₁	548	526	21.06	19.13	0.05	0.10
8	A₁	368	353	1.12	2.93	0.35	0.51
9	A₁	242	232	1.96	6.07	0.68	0.81
10	A₂	3162	3031	0.00	10.36	0.75	0.86
11	A₂	1536	1473	0.00	32.69	0.75	0.86
12	A₂	1071	1027	0.00	2.86	0.75	0.86
13	A₂	286	274	0.00	1.91	0.75	0.86
14	A₂	276	264	0.00	0.16	0.75	0.86
15	B₁	3167	3036	3.58	119.21	0.75	0.86
16	B₁	1558	1494	12.90	0.00	0.75	0.86
17	B₁	1187	1138	112.56	2.41	0.75	0.86
18	B₁	672	644	102.76	18.89	0.75	0.86
19	B₁	359	344	1.71	2.43	0.75	0.86
20	B₁	304	292	0.01	0.00	0.75	0.86
21	B₂	3178	3047	1.06	33.57	0.75	0.86
22	B₂	3088	2960	0.29	1.09	0.75	0.86
23	B₂	1534	1471	8.09	0.04	0.75	0.86
24	B₂	1467	1406	30.73	7.33	0.75	0.86
25	B₂	1247	1196	15.80	0.56	0.75	0.86
26	B₂	997	956	0.25	0.93	0.75	0.86
27	B₂	377	361	4.44	2.64	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.376
Cl2	1.504	0.000	-0.731
Cl3	-1.504	0.000	-0.731
C4	0.000	1.277	1.189
C5	0.000	-1.277	1.189
H6	0.000	2.149	0.532
H7	0.000	-2.149	0.532
H8	-0.894	1.301	1.819
H9	0.894	1.301	1.819
H10	0.894	-1.301	1.819
H11	-0.894	-1.301	1.819

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8680	1.8680	1.5139	1.5139	2.1545	2.1545	2.1385	2.1385	2.1385	2.1385
Cl2	1.8680		3.0085	2.7535	2.7535	2.9115	2.9115	3.7347	2.9275	2.9275	3.7347
Cl3	1.8680	3.0085		2.7535	2.7535	2.9115	2.9115	2.9275	3.7347	3.7347	2.9275
C4	1.5139	2.7535	2.7535		2.5545	1.0914	3.4885	1.0940	1.0940	2.8002	2.8002
C5	1.5139	2.7535	2.7535	2.5545		3.4885	1.0914	2.8002	2.8002	1.0940	1.0940
H6	2.1545	2.9115	2.9115	1.0914	3.4885		4.2977	1.7820	1.7820	3.7887	3.7887
H7	2.1545	2.9115	2.9115	3.4885	1.0914	4.2977		3.7887	3.7887	1.7820	1.7820
H8	2.1385	3.7347	2.9275	1.0940	2.8002	1.7820	3.7887		1.7874	3.1560	2.6010
H9	2.1385	2.9275	3.7347	1.0940	2.8002	1.7820	3.7887	1.7874		2.6010	3.1560
H10	2.1385	2.9275	3.7347	2.8002	1.0940	3.7887	1.7820	3.1560	2.6010		1.7874
H11	2.1385	3.7347	2.9275	2.8002	1.0940	3.7887	1.7820	2.6010	3.1560	1.7874

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.529	C1	C4	H8	109.109
C1	C4	H9	109.109	C1	C5	H7	110.529
C1	C5	H10	109.109	C1	C5	H11	109.109
Cl2	C1	Cl3	107.274	Cl2	C1	C4	108.560
Cl2	C1	C5	108.560	Cl3	C1	C4	108.560
Cl3	C1	C5	108.560	C4	C1	C5	115.059
H6	C4	H8	109.260	H6	C4	H9	109.260
H7	C5	H10	109.260	H7	C5	H11	109.260
H8	C4	H9	109.561	H10	C5	H11	109.561

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

using model chemistry: M06-2X/3-21G

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	-0.507
2	Cl	0.047
3	Cl	0.047
4	C	-0.506
5	C	-0.506
6	H	0.248
7	H	0.248
8	H	0.232
9	H	0.232
10	H	0.232
11	H	0.232

<r²>	193.951
(<r²>)^1/2	13.927

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

using model chemistry: M06-2X/3-21G

States and conformations

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