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	hartrees
Energy at 0K	-1033.173945
Energy at 298.15K
HF Energy	-1033.173945
Nuclear repulsion energy	284.017737

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	3087	3070	3.10	71.65	0.69	0.81
2	A₁	2994	2977	7.68	228.99	0.01	0.02
3	A₁	1512	1504	1.76	29.76	0.75	0.86
4	A₁	1434	1426	6.19	6.80	0.26	0.41
5	A₁	1180	1174	52.73	2.57	0.02	0.04
6	A₁	870	865	17.87	7.91	0.61	0.75
7	A₁	496	493	22.94	18.42	0.04	0.08
8	A₁	342	341	2.97	4.46	0.28	0.43
9	A₁	220	219	1.39	7.17	0.64	0.78
10	A₂	3049	3032	0.00	17.48	0.75	0.86
11	A₂	1503	1495	0.00	35.00	0.75	0.86
12	A₂	1032	1026	0.00	2.56	0.75	0.86
13	A₂	268	267	0.00	1.70	0.75	0.86
14	A₂	263	262	0.00	0.63	0.75	0.86
15	B₁	3055	3038	12.56	142.67	0.75	0.86
16	B₁	1524	1516	8.60	0.07	0.75	0.86
17	B₁	1140	1134	106.92	1.45	0.75	0.86
18	B₁	569	566	119.64	13.50	0.75	0.86
19	B₁	335	333	6.37	3.52	0.75	0.86
20	B₁	287	285	0.00	0.00	0.75	0.86
21	B₂	3087	3070	3.70	37.47	0.75	0.86
22	B₂	2988	2972	0.78	7.90	0.75	0.86
23	B₂	1497	1488	6.51	0.13	0.75	0.86
24	B₂	1422	1414	20.92	10.68	0.75	0.86
25	B₂	1187	1181	24.18	2.73	0.75	0.86
26	B₂	952	947	0.39	0.22	0.75	0.86
27	B₂	356	354	4.77	2.77	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.402
Cl2	1.549	0.000	-0.743
Cl3	-1.549	0.000	-0.743
C4	0.000	1.297	1.203
C5	0.000	-1.297	1.203
H6	0.000	2.167	0.533
H7	0.000	-2.167	0.533
H8	-0.899	1.329	1.839
H9	0.899	1.329	1.839
H10	0.899	-1.329	1.839
H11	-0.899	-1.329	1.839

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.9263	1.9263	1.5244	1.5244	2.1709	2.1709	2.1543	2.1543	2.1543	2.1543
Cl2	1.9263		3.0973	2.8054	2.8054	2.9537	2.9537	3.7988	2.9764	2.9764	3.7988
Cl3	1.9263	3.0973		2.8054	2.8054	2.9537	2.9537	2.9764	3.7988	3.7988	2.9764
C4	1.5244	2.8054	2.8054		2.5938	1.0981	3.5280	1.1022	1.1022	2.8474	2.8474
C5	1.5244	2.8054	2.8054	2.5938		3.5280	1.0981	2.8474	2.8474	1.1022	1.1022
H6	2.1709	2.9537	2.9537	1.0981	3.5280		4.3339	1.7937	1.7937	3.8386	3.8386
H7	2.1709	2.9537	2.9537	3.5280	1.0981	4.3339		3.8386	3.8386	1.7937	1.7937
H8	2.1543	3.7988	2.9764	1.1022	2.8474	1.7937	3.8386		1.7989	3.2091	2.6575
H9	2.1543	2.9764	3.7988	1.1022	2.8474	1.7937	3.8386	1.7989		2.6575	3.2091
H10	2.1543	2.9764	3.7988	2.8474	1.1022	3.8386	1.7937	3.2091	2.6575		1.7989
H11	2.1543	3.7988	2.9764	2.8474	1.1022	3.8386	1.7937	2.6575	3.2091	1.7989

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.696	C1	C4	H8	109.147
C1	C4	H9	109.147	C1	C5	H7	110.696
C1	C5	H10	109.147	C1	C5	H11	109.147
Cl2	C1	Cl3	107.020	Cl2	C1	C4	108.214
Cl2	C1	C5	108.214	Cl3	C1	C4	108.214
Cl3	C1	C5	108.214	C4	C1	C5	116.581
H6	C4	H8	109.221	H6	C4	H9	109.221
H7	C5	H10	109.221	H7	C5	H11	109.221
H8	C4	H9	109.391	H10	C5	H11	109.391

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

using model chemistry: BLYP/3-21G

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	-0.367
2	Cl	0.004
3	Cl	0.004
4	C	-0.479
5	C	-0.479
6	H	0.230
7	H	0.230
8	H	0.214
9	H	0.214
10	H	0.214
11	H	0.214

<r²>	200.919
(<r²>)^1/2	14.175

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

using model chemistry: BLYP/3-21G

States and conformations

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