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	hartrees
Energy at 0K	-49.241997
Energy at 298.15K
HF Energy	-49.241997
Nuclear repulsion energy	99.084109

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	3354	3023	31.55	78.69	0.74	0.85
2	A₁	3240	2921	40.66	330.64	0.01	0.02
3	A₁	1623	1463	3.11	25.03	0.75	0.86
4	A₁	1576	1421	3.19	0.76	0.56	0.72
5	A₁	1305	1176	56.30	5.03	0.33	0.49
6	A₁	993	895	10.91	14.25	0.74	0.85
7	A₁	560	505	31.37	29.92	0.05	0.10
8	A₁	377	340	1.25	6.60	0.42	0.59
9	A₁	260	235	1.69	7.58	0.68	0.81
10	A₂	3325	2997	0.00	9.22	0.75	0.86
11	A₂	1618	1458	0.00	28.04	0.75	0.86
12	A₂	1136	1024	0.00	6.96	0.75	0.86
13	A₂	293	264	0.00	2.80	0.75	0.86
14	A₂	271	244	0.00	0.04	0.75	0.86
15	B₁	3333	3005	60.89	152.70	0.75	0.86
16	B₁	1634	1473	13.82	0.10	0.75	0.86
17	B₁	1257	1133	137.74	3.72	0.75	0.86
18	B₁	679	612	162.19	28.54	0.75	0.86
19	B₁	377	340	3.24	6.39	0.75	0.86
20	B₁	303	274	0.03	0.00	0.75	0.86
21	B₂	3350	3020	20.03	51.18	0.75	0.86
22	B₂	3236	2917	15.33	0.01	0.75	0.86
23	B₂	1610	1451	6.63	0.11	0.75	0.86
24	B₂	1560	1406	8.99	2.97	0.75	0.86
25	B₂	1335	1203	7.70	0.90	0.75	0.86
26	B₂	1052	949	0.90	2.77	0.75	0.86
27	B₂	399	359	6.42	3.26	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.370
Cl2	1.510	0.000	-0.737
Cl3	-1.510	0.000	-0.737
C4	0.000	1.291	1.200
C5	0.000	-1.291	1.200
H6	0.000	2.166	0.559
H7	0.000	-2.166	0.559
H8	-0.887	1.314	1.829
H9	0.887	1.314	1.829
H10	0.887	-1.314	1.829
H11	-0.887	-1.314	1.829

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8717	1.8717	1.5350	1.5350	2.1741	2.1741	2.1548	2.1548	2.1548	2.1548
Cl2	1.8717		3.0192	2.7742	2.7742	2.9407	2.9407	3.7489	2.9494	2.9494	3.7489
Cl3	1.8717	3.0192		2.7742	2.7742	2.9407	2.9407	2.9494	3.7489	3.7489	2.9494
C4	1.5350	2.7742	2.7742		2.5824	1.0845	3.5160	1.0879	1.0879	2.8228	2.8228
C5	1.5350	2.7742	2.7742	2.5824		3.5160	1.0845	2.8228	2.8228	1.0879	1.0879
H6	2.1741	2.9407	2.9407	1.0845	3.5160		4.3317	1.7686	1.7686	3.8090	3.8090
H7	2.1741	2.9407	2.9407	3.5160	1.0845	4.3317		3.8090	3.8090	1.7686	1.7686
H8	2.1548	3.7489	2.9494	1.0879	2.8228	1.7686	3.8090		1.7736	3.1699	2.6272
H9	2.1548	2.9494	3.7489	1.0879	2.8228	1.7686	3.8090	1.7736		2.6272	3.1699
H10	2.1548	2.9494	3.7489	2.8228	1.0879	3.8090	1.7686	3.1699	2.6272		1.7736
H11	2.1548	3.7489	2.9494	2.8228	1.0879	3.8090	1.7686	2.6272	3.1699	1.7736

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	111.018	C1	C4	H8	109.291
C1	C4	H9	109.291	C1	C5	H7	111.018
C1	C5	H10	109.291	C1	C5	H11	109.291
Cl2	C1	Cl3	107.522	Cl2	C1	C4	108.644
Cl2	C1	C5	108.644	Cl3	C1	C4	108.644
Cl3	C1	C5	108.644	C4	C1	C5	114.526
H6	C4	H8	109.002	H6	C4	H9	109.002
H7	C5	H10	109.002	H7	C5	H11	109.002
H8	C4	H9	109.211	H10	C5	H11	109.211

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	-0.340
2	Cl	-0.057
3	Cl	-0.057
4	C	-0.209
5	C	-0.209
6	H	0.174
7	H	0.174
8	H	0.131
9	H	0.131
10	H	0.131
11	H	0.131

<r²>	126.295
(<r²>)^1/2	11.238

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-)