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	hartrees
Energy at 0K	-147.809088
Energy at 298.15K
HF Energy	-147.809088
Nuclear repulsion energy	145.851032

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	3181	3058	11.73	67.56	0.72	0.83
2	A₁	3063	2944	15.34	297.72	0.01	0.01
3	A₁	1506	1448	3.90	17.78	0.75	0.85
4	A₁	1453	1397	9.70	0.74	0.59	0.75
5	A₁	1201	1154	66.62	2.18	0.07	0.13
6	A₁	918	882	8.83	9.35	0.74	0.85
7	A₁	515	495	21.67	20.06	0.05	0.10
8	A₁	351	337	3.04	4.82	0.39	0.56
9	A₁	236	227	1.45	6.72	0.68	0.81
10	A₂	3149	3027	0.00	13.23	0.75	0.86
11	A₂	1501	1443	0.00	23.29	0.75	0.86
12	A₂	1041	1001	0.00	5.84	0.75	0.86
13	A₂	273	263	0.00	2.77	0.75	0.86
14	A₂	252	243	0.00	0.00	0.75	0.86
15	B₁	3156	3034	30.51	123.91	0.75	0.86
16	B₁	1519	1461	17.49	0.00	0.75	0.86
17	B₁	1160	1115	111.31	1.11	0.75	0.86
18	B₁	589	566	99.49	13.57	0.75	0.86
19	B₁	352	338	5.97	4.95	0.75	0.86
20	B₁	288	276	0.04	0.00	0.75	0.86
21	B₂	3178	3055	10.81	39.32	0.75	0.86
22	B₂	3059	2940	3.62	1.85	0.75	0.86
23	B₂	1492	1435	8.56	0.01	0.75	0.86
24	B₂	1438	1382	26.04	2.44	0.75	0.86
25	B₂	1247	1198	23.63	0.36	0.75	0.86
26	B₂	973	935	0.27	0.94	0.75	0.86
27	B₂	373	359	4.58	3.16	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.387
Cl2	1.527	0.000	-0.738
Cl3	-1.527	0.000	-0.738
C4	0.000	1.292	1.197
C5	0.000	-1.292	1.197
H6	0.000	2.167	0.541
H7	0.000	-2.167	0.541
H8	-0.893	1.328	1.833
H9	0.893	1.328	1.833
H10	0.893	-1.328	1.833
H11	-0.893	-1.328	1.833

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8971	1.8971	1.5250	1.5250	2.1720	2.1720	2.1560	2.1560	2.1560	2.1560
Cl2	1.8971		3.0540	2.7833	2.7833	2.9432	2.9432	3.7719	2.9621	2.9621	3.7719
Cl3	1.8971	3.0540		2.7833	2.7833	2.9432	2.9432	2.9621	3.7719	3.7719	2.9621
C4	1.5250	2.7833	2.7833		2.5847	1.0930	3.5206	1.0964	1.0964	2.8401	2.8401
C5	1.5250	2.7833	2.7833	2.5847		3.5206	1.0930	2.8401	2.8401	1.0964	1.0964
H6	2.1720	2.9432	2.9432	1.0930	3.5206		4.3332	1.7801	1.7801	3.8309	3.8309
H7	2.1720	2.9432	2.9432	3.5206	1.0930	4.3332		3.8309	3.8309	1.7801	1.7801
H8	2.1560	3.7719	2.9621	1.0964	2.8401	1.7801	3.8309		1.7854	3.2000	2.6556
H9	2.1560	2.9621	3.7719	1.0964	2.8401	1.7801	3.8309	1.7854		2.6556	3.2000
H10	2.1560	2.9621	3.7719	2.8401	1.0964	3.8309	1.7801	3.2000	2.6556		1.7854
H11	2.1560	3.7719	2.9621	2.8401	1.0964	3.8309	1.7801	2.6556	3.2000	1.7854

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	111.053	C1	C4	H8	109.581
C1	C4	H9	109.581	C1	C5	H7	111.053
C1	C5	H10	109.581	C1	C5	H11	109.581
Cl2	C1	Cl3	107.209	Cl2	C1	C4	108.360
Cl2	C1	C5	108.360	Cl3	C1	C4	108.360
Cl3	C1	C5	108.360	C4	C1	C5	115.875
H6	C4	H8	108.789	H6	C4	H9	108.789
H7	C5	H10	108.789	H7	C5	H11	108.789
H8	C4	H9	109.013	H10	C5	H11	109.013

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

using model chemistry: B3LYP/LANL2DZ

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	-0.206
2	Cl	-0.045
3	Cl	-0.045
4	C	-0.535
5	C	-0.535
6	H	0.248
7	H	0.248
8	H	0.217
9	H	0.217
10	H	0.217
11	H	0.217

<r²>	139.090
(<r²>)^1/2	11.794

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

using model chemistry: B3LYP/LANL2DZ

States and conformations

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