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	hartrees
Energy at 0K	-1038.203103
Energy at 298.15K
HF Energy	-1038.203103
Nuclear repulsion energy	289.113816

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	3196	3196	4.63	75.90	0.74	0.85
2	A₁	3084	3084	10.56	231.25	0.01	0.01
3	A₁	1537	1537	3.95	29.57	0.75	0.86
4	A₁	1486	1486	12.53	3.35	0.43	0.60
5	A₁	1231	1231	50.33	2.86	0.07	0.12
6	A₁	947	947	11.12	8.94	0.72	0.83
7	A₁	553	553	23.66	18.65	0.05	0.10
8	A₁	374	374	1.55	3.60	0.32	0.48
9	A₁	249	249	1.81	5.77	0.67	0.80
10	A₂	3169	3169	0.00	11.11	0.75	0.86
11	A₂	1528	1528	0.00	32.49	0.75	0.86
12	A₂	1067	1067	0.00	3.64	0.75	0.86
13	A₂	285	285	0.00	1.86	0.75	0.86
14	A₂	264	264	0.00	0.00	0.75	0.86
15	B₁	3174	3174	13.99	139.08	0.75	0.86
16	B₁	1548	1548	16.07	0.03	0.75	0.86
17	B₁	1188	1188	111.69	2.50	0.75	0.86
18	B₁	646	646	111.07	18.38	0.75	0.86
19	B₁	369	369	3.25	2.81	0.75	0.86
20	B₁	297	297	0.04	0.00	0.75	0.86
21	B₂	3195	3195	4.53	38.13	0.75	0.86
22	B₂	3080	3080	3.09	1.04	0.75	0.86
23	B₂	1522	1522	9.01	0.04	0.75	0.86
24	B₂	1471	1471	29.03	7.07	0.75	0.86
25	B₂	1264	1264	15.59	0.23	0.75	0.86
26	B₂	998	998	0.31	1.21	0.75	0.86
27	B₂	389	389	5.03	2.34	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.377
Cl2	1.509	0.000	-0.735
Cl3	-1.509	0.000	-0.735
C4	0.000	1.276	1.193
C5	0.000	-1.276	1.193
H6	0.000	2.157	0.549
H7	0.000	-2.157	0.549
H8	-0.891	1.301	1.827
H9	0.891	1.301	1.827
H10	0.891	-1.301	1.827
H11	-0.891	-1.301	1.827

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8739	1.8739	1.5150	1.5150	2.1640	2.1640	2.1427	2.1427	2.1427	2.1427
Cl2	1.8739		3.0170	2.7606	2.7606	2.9286	2.9286	3.7436	2.9395	2.9395	3.7436
Cl3	1.8739	3.0170		2.7606	2.7606	2.9286	2.9286	2.9395	3.7436	3.7436	2.9395
C4	1.5150	2.7606	2.7606		2.5529	1.0910	3.4935	1.0939	1.0939	2.8003	2.8003
C5	1.5150	2.7606	2.7606	2.5529		3.4935	1.0910	2.8003	2.8003	1.0939	1.0939
H6	2.1640	2.9286	2.9286	1.0910	3.4935		4.3144	1.7777	1.7777	3.7935	3.7935
H7	2.1640	2.9286	2.9286	3.4935	1.0910	4.3144		3.7935	3.7935	1.7777	1.7777
H8	2.1427	3.7436	2.9395	1.0939	2.8003	1.7777	3.7935		1.7813	3.1541	2.6030
H9	2.1427	2.9395	3.7436	1.0939	2.8003	1.7777	3.7935	1.7813		2.6030	3.1541
H10	2.1427	2.9395	3.7436	2.8003	1.0939	3.7935	1.7777	3.1541	2.6030		1.7813
H11	2.1427	3.7436	2.9395	2.8003	1.0939	3.7935	1.7777	2.6030	3.1541	1.7813

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	111.241	C1	C4	H8	109.374
C1	C4	H9	109.374	C1	C5	H7	111.241
C1	C5	H10	109.374	C1	C5	H11	109.374
Cl2	C1	Cl3	107.222	Cl2	C1	C4	108.634
Cl2	C1	C5	108.634	Cl3	C1	C4	108.634
Cl3	C1	C5	108.634	C4	C1	C5	114.826
H6	C4	H8	108.902	H6	C4	H9	108.902
H7	C5	H10	108.902	H7	C5	H11	108.902
H8	C4	H9	109.015	H10	C5	H11	109.015

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

using model chemistry: wB97X-D/6-31G

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	-0.401
2	Cl	0.023
3	Cl	0.023
4	C	-0.419
5	C	-0.419
6	H	0.210
7	H	0.210
8	H	0.193
9	H	0.193
10	H	0.193
11	H	0.193

<r²>	194.507
(<r²>)^1/2	13.947

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

using model chemistry: wB97X-D/6-31G

States and conformations

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