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	hartrees
Energy at 0K	-1036.088197
Energy at 298.15K
HF Energy	-1036.088197
Nuclear repulsion energy	295.978151

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	3290	2979	12.18	68.49	0.73	0.84
2	A₁	3193	2892	17.17	196.72	0.01	0.02
3	A₁	1608	1456	2.16	19.63	0.75	0.86
4	A₁	1552	1405	2.66	1.12	0.44	0.61
5	A₁	1287	1165	33.18	1.79	0.42	0.59
6	A₁	992	899	11.15	9.19	0.72	0.84
7	A₁	601	544	19.50	18.26	0.03	0.06
8	A₁	389	352	0.81	2.04	0.27	0.42
9	A₁	276	250	1.23	2.63	0.65	0.79
10	A₂	3261	2953	0.00	9.13	0.75	0.86
11	A₂	1597	1446	0.00	19.05	0.75	0.86
12	A₂	1116	1011	0.00	2.03	0.75	0.86
13	A₂	303	274	0.00	0.95	0.75	0.86
14	A₂	289	262	0.00	0.03	0.75	0.86
15	B₁	3269	2960	28.98	116.97	0.75	0.86
16	B₁	1618	1465	4.21	0.00	0.75	0.86
17	B₁	1240	1123	94.54	1.74	0.75	0.86
18	B₁	735	666	114.47	16.70	0.75	0.86
19	B₁	385	349	3.25	1.31	0.75	0.86
20	B₁	325	294	0.02	0.00	0.75	0.86
21	B₂	3288	2977	7.69	33.82	0.75	0.86
22	B₂	3187	2886	7.39	0.42	0.75	0.86
23	B₂	1595	1444	3.60	0.02	0.75	0.86
24	B₂	1535	1390	6.74	1.38	0.75	0.86
25	B₂	1301	1178	3.51	1.63	0.75	0.86
26	B₂	1027	930	0.10	3.06	0.75	0.86
27	B₂	417	378	3.45	1.11	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.338
Cl2	1.455	0.000	-0.718
Cl3	-1.455	0.000	-0.718
C4	0.000	1.269	1.174
C5	0.000	-1.269	1.174
H6	0.000	2.146	0.540
H7	0.000	-2.146	0.540
H8	-0.884	1.287	1.802
H9	0.884	1.287	1.802
H10	0.884	-1.287	1.802
H11	-0.884	-1.287	1.802

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.7971	1.7971	1.5198	1.5198	2.1550	2.1550	2.1398	2.1398	2.1398	2.1398
Cl2	1.7971		2.9091	2.7025	2.7025	2.8809	2.8809	3.6699	2.8858	2.8858	3.6699
Cl3	1.7971	2.9091		2.7025	2.7025	2.8809	2.8809	2.8858	3.6699	3.6699	2.8858
C4	1.5198	2.7025	2.7025		2.5388	1.0814	3.4733	1.0841	1.0841	2.7765	2.7765
C5	1.5198	2.7025	2.7025	2.5388		3.4733	1.0814	2.7765	2.7765	1.0841	1.0841
H6	2.1550	2.8809	2.8809	1.0814	3.4733		4.2911	1.7637	1.7637	3.7621	3.7621
H7	2.1550	2.8809	2.8809	3.4733	1.0814	4.2911		3.7621	3.7621	1.7637	1.7637
H8	2.1398	3.6699	2.8858	1.0841	2.7765	1.7637	3.7621		1.7671	3.1217	2.5734
H9	2.1398	2.8858	3.6699	1.0841	2.7765	1.7637	3.7621	1.7671		2.5734	3.1217
H10	2.1398	2.8858	3.6699	2.7765	1.0841	3.7621	1.7637	3.1217	2.5734		1.7671
H11	2.1398	3.6699	2.8858	2.7765	1.0841	3.7621	1.7637	2.5734	3.1217	1.7671

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.755	C1	C4	H8	109.383
C1	C4	H9	109.383	C1	C5	H7	110.755
C1	C5	H10	109.383	C1	C5	H11	109.383
Cl2	C1	Cl3	108.073	Cl2	C1	C4	108.841
Cl2	C1	C5	108.841	Cl3	C1	C4	108.841
Cl3	C1	C5	108.841	C4	C1	C5	113.280
H6	C4	H8	109.062	H6	C4	H9	109.062
H7	C5	H10	109.062	H7	C5	H11	109.062
H8	C4	H9	109.170	H10	C5	H11	109.170

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

using model chemistry: HF/6-31G(2df,p)

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	0.068
2	Cl	-0.138
3	Cl	-0.138
4	C	-0.399
5	C	-0.399
6	H	0.177
7	H	0.177
8	H	0.163
9	H	0.163
10	H	0.163
11	H	0.163

<r²>	186.594
(<r²>)^1/2	13.660

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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