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	hartrees
Energy at 0K	-1038.348520
Energy at 298.15K
HF Energy	-1038.348520
Nuclear repulsion energy	292.539167

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	3157	3044	7.25	76.88	0.72	0.84
2	A₁	3060	2950	13.73	278.51	0.01	0.01
3	A₁	1495	1442	3.74	13.43	0.73	0.84
4	A₁	1431	1380	5.70	2.07	0.24	0.38
5	A₁	1181	1139	38.35	3.88	0.20	0.34
6	A₁	915	882	12.21	7.85	0.74	0.85
7	A₁	552	532	19.46	20.04	0.02	0.05
8	A₁	365	352	1.25	3.32	0.28	0.44
9	A₁	252	243	1.07	3.56	0.68	0.81
10	A₂	3129	3017	0.00	14.79	0.75	0.86
11	A₂	1484	1431	0.00	15.48	0.75	0.86
12	A₂	1030	993	0.00	0.71	0.75	0.86
13	A₂	283	273	0.00	1.38	0.75	0.86
14	A₂	269	259	0.00	0.13	0.75	0.86
15	B₁	3135	3023	19.90	133.36	0.75	0.86
16	B₁	1505	1451	7.82	0.06	0.75	0.86
17	B₁	1139	1098	88.84	3.02	0.75	0.86
18	B₁	628	605	114.93	13.95	0.75	0.86
19	B₁	361	348	5.33	2.40	0.75	0.86
20	B₁	303	292	0.01	0.00	0.75	0.86
21	B₂	3156	3043	5.13	36.65	0.75	0.86
22	B₂	3055	2945	5.60	3.76	0.75	0.86
23	B₂	1480	1427	4.79	0.03	0.75	0.86
24	B₂	1414	1364	15.43	2.58	0.75	0.86
25	B₂	1210	1167	8.30	1.55	0.75	0.86
26	B₂	953	919	0.01	1.42	0.75	0.86
27	B₂	389	375	3.25	1.41	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.350
Cl2	1.481	0.000	-0.724
Cl3	-1.481	0.000	-0.724
C4	0.000	1.276	1.181
C5	0.000	-1.276	1.181
H6	0.000	2.160	0.541
H7	0.000	-2.160	0.541
H8	-0.891	1.297	1.815
H9	0.891	1.297	1.815
H10	0.891	-1.297	1.815
H11	-0.891	-1.297	1.815

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8290	1.8290	1.5225	1.5225	2.1685	2.1685	2.1503	2.1503	2.1503	2.1503
Cl2	1.8290		2.9614	2.7289	2.7289	2.9082	2.9082	3.7086	2.9116	2.9116	3.7086
Cl3	1.8290	2.9614		2.7289	2.7289	2.9082	2.9082	2.9116	3.7086	3.7086	2.9116
C4	1.5225	2.7289	2.7289		2.5518	1.0913	3.4950	1.0941	1.0941	2.7960	2.7960
C5	1.5225	2.7289	2.7289	2.5518		3.4950	1.0913	2.7960	2.7960	1.0941	1.0941
H6	2.1685	2.9082	2.9082	1.0913	3.4950		4.3201	1.7783	1.7783	3.7909	3.7909
H7	2.1685	2.9082	2.9082	3.4950	1.0913	4.3201		3.7909	3.7909	1.7783	1.7783
H8	2.1503	3.7086	2.9116	1.0941	2.7960	1.7783	3.7909		1.7817	3.1473	2.5945
H9	2.1503	2.9116	3.7086	1.0941	2.7960	1.7783	3.7909	1.7817		2.5945	3.1473
H10	2.1503	2.9116	3.7086	2.7960	1.0941	3.7909	1.7783	3.1473	2.5945		1.7817
H11	2.1503	3.7086	2.9116	2.7960	1.0941	3.7909	1.7783	2.5945	3.1473	1.7817

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	111.045	C1	C4	H8	109.444
C1	C4	H9	109.444	C1	C5	H7	111.045
C1	C5	H10	109.444	C1	C5	H11	109.444
Cl2	C1	Cl3	108.109	Cl2	C1	C4	108.680
Cl2	C1	C5	108.680	Cl3	C1	C4	108.680
Cl3	C1	C5	108.680	C4	C1	C5	113.867
H6	C4	H8	108.925	H6	C4	H9	108.925
H7	C5	H10	108.925	H7	C5	H11	108.925
H8	C4	H9	109.026	H10	C5	H11	109.026

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

using model chemistry: B3LYP/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	0.058
2	Cl	-0.049
3	Cl	-0.049
4	C	-0.507
5	C	-0.507
6	H	0.184
7	H	0.184
8	H	0.172
9	H	0.172
10	H	0.172
11	H	0.172

	x	y	z	Total
	0.000	0.000	2.568	2.568
CHELPG
AIM
ESP	0.006	0.000	2.639	2.639

<r²>	190.731
(<r²>)^1/2	13.811

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

using model chemistry: B3LYP/6-31+G**

States and conformations

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