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	hartrees
Energy at 0K	-49.343927
Energy at 298.15K
HF Energy	-49.343927
Nuclear repulsion energy	100.791548

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	3311	2991	21.49	72.97	0.73	0.84
2	A₁	3211	2901	25.07	245.09	0.01	0.01
3	A₁	1621	1465	2.27	16.52	0.74	0.85
4	A₁	1565	1414	1.81	0.31	0.71	0.83
5	A₁	1291	1166	34.86	2.55	0.56	0.72
6	A₁	999	903	12.85	10.15	0.74	0.85
7	A₁	601	543	22.16	18.46	0.04	0.07
8	A₁	385	348	0.44	2.50	0.38	0.55
9	A₁	273	247	1.26	3.69	0.65	0.79
10	A₂	3281	2964	0.00	10.68	0.75	0.86
11	A₂	1610	1455	0.00	17.31	0.75	0.86
12	A₂	1121	1013	0.00	2.58	0.75	0.86
13	A₂	301	271	0.00	1.10	0.75	0.86
14	A₂	284	257	0.00	0.03	0.75	0.86
15	B₁	3290	2972	47.21	125.47	0.75	0.86
16	B₁	1631	1474	4.23	0.00	0.75	0.86
17	B₁	1246	1125	94.92	3.35	0.75	0.86
18	B₁	746	674	128.46	20.16	0.75	0.86
19	B₁	383	346	2.35	1.65	0.75	0.86
20	B₁	322	291	0.01	0.01	0.75	0.86
21	B₂	3308	2989	14.80	37.54	0.75	0.86
22	B₂	3205	2895	10.90	0.25	0.75	0.86
23	B₂	1608	1453	3.54	0.01	0.75	0.86
24	B₂	1547	1398	5.49	0.62	0.75	0.86
25	B₂	1310	1183	3.27	2.16	0.75	0.86
26	B₂	1031	931	0.00	3.00	0.75	0.86
27	B₂	412	373	4.71	1.20	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.339
Cl2	1.465	0.000	-0.720
Cl3	-1.465	0.000	-0.720
C4	0.000	1.277	1.178
C5	0.000	-1.277	1.178
H6	0.000	2.155	0.544
H7	0.000	-2.155	0.544
H8	-0.884	1.295	1.807
H9	0.884	1.295	1.807
H10	0.884	-1.295	1.807
H11	-0.884	-1.295	1.807

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8073	1.8073	1.5283	1.5283	2.1643	2.1643	2.1482	2.1482	2.1482	2.1482
Cl2	1.8073		2.9294	2.7166	2.7166	2.8958	2.8958	3.6852	2.8982	2.8982	3.6852
Cl3	1.8073	2.9294		2.7166	2.7166	2.8958	2.8958	2.8982	3.6852	3.6852	2.8982
C4	1.5283	2.7166	2.7166		2.5543	1.0826	3.4898	1.0852	1.0852	2.7917	2.7917
C5	1.5283	2.7166	2.7166	2.5543		3.4898	1.0826	2.7917	2.7917	1.0852	1.0852
H6	2.1643	2.8958	2.8958	1.0826	3.4898		4.3091	1.7652	1.7652	3.7784	3.7784
H7	2.1643	2.8958	2.8958	3.4898	1.0826	4.3091		3.7784	3.7784	1.7652	1.7652
H8	2.1482	3.6852	2.8982	1.0852	2.7917	1.7652	3.7784		1.7686	3.1362	2.5900
H9	2.1482	2.8982	3.6852	1.0852	2.7917	1.7652	3.7784	1.7686		2.5900	3.1362
H10	2.1482	2.8982	3.6852	2.7917	1.0852	3.7784	1.7652	3.1362	2.5900		1.7686
H11	2.1482	3.6852	2.8982	2.7917	1.0852	3.7784	1.7652	2.5900	3.1362	1.7686

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.827	C1	C4	H8	109.388
C1	C4	H9	109.388	C1	C5	H7	110.827
C1	C5	H10	109.388	C1	C5	H11	109.388
Cl2	C1	Cl3	108.276	Cl2	C1	C4	108.770
Cl2	C1	C5	108.770	Cl3	C1	C4	108.770
Cl3	C1	C5	108.770	C4	C1	C5	113.368
H6	C4	H8	109.031	H6	C4	H9	109.031
H7	C5	H10	109.031	H7	C5	H11	109.031
H8	C4	H9	109.150	H10	C5	H11	109.150

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

using model chemistry: HF/CEP-121G*

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	0.147
2	Cl	-0.144
3	Cl	-0.144
4	C	-0.504
5	C	-0.504
6	H	0.208
7	H	0.208
8	H	0.183
9	H	0.183
10	H	0.183
11	H	0.183

<r²>	122.096
(<r²>)^1/2	11.050

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

using model chemistry: HF/CEP-121G*

States and conformations

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