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	hartrees
Energy at 0K	-1038.216851
Energy at 298.15K
HF Energy	-1038.216851
Nuclear repulsion energy	295.077374

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	3188	3036	5.75	77.62	0.73	0.85
2	A₁	3087	2939	10.97	276.31	0.00	0.01
3	A₁	1498	1426	3.97	15.42	0.74	0.85
4	A₁	1432	1363	7.85	1.83	0.26	0.42
5	A₁	1193	1136	35.34	3.40	0.31	0.48
6	A₁	948	903	8.37	8.26	0.71	0.83
7	A₁	578	551	17.96	18.55	0.03	0.05
8	A₁	374	356	0.59	2.48	0.32	0.49
9	A₁	261	248	1.23	3.27	0.70	0.82
10	A₂	3167	3015	0.00	11.87	0.75	0.86
11	A₂	1485	1414	0.00	16.99	0.75	0.86
12	A₂	1033	984	0.00	1.04	0.75	0.86
13	A₂	290	276	0.00	1.32	0.75	0.86
14	A₂	274	261	0.00	0.12	0.75	0.86
15	B₁	3172	3020	15.34	127.86	0.75	0.86
16	B₁	1507	1435	8.70	0.01	0.75	0.86
17	B₁	1150	1095	86.24	2.75	0.75	0.86
18	B₁	688	655	100.94	14.01	0.75	0.86
19	B₁	370	353	2.55	1.80	0.75	0.86
20	B₁	314	299	0.01	0.00	0.75	0.86
21	B₂	3187	3035	3.68	36.92	0.75	0.86
22	B₂	3083	2936	4.86	1.35	0.75	0.86
23	B₂	1482	1411	4.49	0.02	0.75	0.86
24	B₂	1414	1347	18.83	2.14	0.75	0.86
25	B₂	1236	1177	4.74	2.35	0.75	0.86
26	B₂	963	917	0.08	1.68	0.75	0.86
27	B₂	395	377	3.20	1.48	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.338
Cl2	1.463	0.000	-0.718
Cl3	-1.463	0.000	-0.718
C4	0.000	1.268	1.174
C5	0.000	-1.268	1.174
H6	0.000	2.152	0.534
H7	0.000	-2.152	0.534
H8	-0.892	1.283	1.806
H9	0.892	1.283	1.806
H10	0.892	-1.283	1.806
H11	-0.892	-1.283	1.806

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8046	1.8046	1.5181	1.5181	2.1604	2.1604	2.1434	2.1434	2.1434	2.1434
Cl2	1.8046		2.9263	2.7066	2.7066	2.8874	2.8874	3.6824	2.8884	2.8884	3.6824
Cl3	1.8046	2.9263		2.7066	2.7066	2.8874	2.8874	2.8884	3.6824	3.6824	2.8884
C4	1.5181	2.7066	2.7066		2.5356	1.0909	3.4786	1.0931	1.0931	2.7750	2.7750
C5	1.5181	2.7066	2.7066	2.5356		3.4786	1.0909	2.7750	2.7750	1.0931	1.0931
H6	2.1604	2.8874	2.8874	1.0909	3.4786		4.3030	1.7797	1.7797	3.7693	3.7693
H7	2.1604	2.8874	2.8874	3.4786	1.0909	4.3030		3.7693	3.7693	1.7797	1.7797
H8	2.1434	3.6824	2.8884	1.0931	2.7750	1.7797	3.7693		1.7830	3.1245	2.5658
H9	2.1434	2.8884	3.6824	1.0931	2.7750	1.7797	3.7693	1.7830		2.5658	3.1245
H10	2.1434	2.8884	3.6824	2.7750	1.0931	3.7693	1.7797	3.1245	2.5658		1.7830
H11	2.1434	3.6824	2.8884	2.7750	1.0931	3.7693	1.7797	2.5658	3.1245	1.7830

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.731	C1	C4	H8	109.256
C1	C4	H9	109.256	C1	C5	H7	110.731
C1	C5	H10	109.256	C1	C5	H11	109.256
Cl2	C1	Cl3	108.344	Cl2	C1	C4	108.784
Cl2	C1	C5	108.784	Cl3	C1	C4	108.784
Cl3	C1	C5	108.784	C4	C1	C5	113.252
H6	C4	H8	109.148	H6	C4	H9	109.148
H7	C5	H10	109.148	H7	C5	H11	109.148
H8	C4	H9	109.281	H10	C5	H11	109.281

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

using model chemistry: M06-2X/6-31+G**

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	-0.424
2	Cl	0.044
3	Cl	0.044
4	C	-0.407
5	C	-0.407
6	H	0.201
7	H	0.201
8	H	0.187
9	H	0.187
10	H	0.187
11	H	0.187

<r²>	187.762
(<r²>)^1/2	13.703

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

using model chemistry: M06-2X/6-31+G**

States and conformations

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