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	hartrees
Energy at 0K	-1038.333885
Energy at 298.15K
HF Energy	-1038.333885
Nuclear repulsion energy	290.985192

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	3057	3040	7.23	71.49	0.69	0.82
2	A₁	2970	2953	13.98	306.20	0.01	0.01
3	A₁	1455	1447	4.36	8.17	0.73	0.84
4	A₁	1387	1379	3.72	1.45	0.13	0.23
5	A₁	1139	1133	33.79	3.77	0.27	0.42
6	A₁	865	861	13.47	6.17	0.71	0.83
7	A₁	523	520	16.77	22.09	0.02	0.03
8	A₁	350	348	1.84	3.99	0.20	0.33
9	A₁	239	238	0.80	3.09	0.61	0.76
10	A₂	3025	3008	0.00	18.08	0.75	0.86
11	A₂	1446	1438	0.00	9.79	0.75	0.86
12	A₂	996	991	0.00	0.04	0.75	0.86
13	A₂	272	271	0.00	1.47	0.75	0.86
14	A₂	254	253	0.00	0.03	0.75	0.86
15	B₁	3031	3015	20.85	128.55	0.75	0.86
16	B₁	1467	1459	5.27	0.21	0.75	0.86
17	B₁	1096	1090	74.67	3.84	0.75	0.86
18	B₁	567	563	106.42	10.28	0.75	0.86
19	B₁	345	343	8.60	2.42	0.75	0.86
20	B₁	284	282	0.00	0.00	0.75	0.86
21	B₂	3055	3039	4.97	31.81	0.75	0.86
22	B₂	2964	2948	4.02	9.20	0.75	0.86
23	B₂	1440	1432	4.27	0.10	0.75	0.86
24	B₂	1370	1362	12.67	0.99	0.75	0.86
25	B₂	1158	1151	8.84	1.43	0.75	0.86
26	B₂	918	913	0.32	0.78	0.75	0.86
27	B₂	375	373	2.39	1.09	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.359
Cl2	1.489	0.000	-0.728
Cl3	-1.489	0.000	-0.728
C4	0.000	1.283	1.186
C5	0.000	-1.283	1.186
H6	0.000	2.166	0.542
H7	0.000	-2.166	0.542
H8	-0.892	1.308	1.822
H9	0.892	1.308	1.822
H10	0.892	-1.308	1.822
H11	-0.892	-1.308	1.822

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8437	1.8437	1.5264	1.5264	2.1733	2.1733	2.1563	2.1563	2.1563	2.1563
Cl2	1.8437		2.9781	2.7437	2.7437	2.9188	2.9188	3.7267	2.9281	2.9281	3.7267
Cl3	1.8437	2.9781		2.7437	2.7437	2.9188	2.9188	2.9281	3.7267	3.7267	2.9281
C4	1.5264	2.7437	2.7437		2.5658	1.0929	3.5082	1.0963	1.0963	2.8135	2.8135
C5	1.5264	2.7437	2.7437	2.5658		3.5082	1.0929	2.8135	2.8135	1.0963	1.0963
H6	2.1733	2.9188	2.9188	1.0929	3.5082		4.3311	1.7809	1.7809	3.8085	3.8085
H7	2.1733	2.9188	2.9188	3.5082	1.0929	4.3311		3.8085	3.8085	1.7809	1.7809
H8	2.1563	3.7267	2.9281	1.0963	2.8135	1.7809	3.8085		1.7847	3.1674	2.6167
H9	2.1563	2.9281	3.7267	1.0963	2.8135	1.7809	3.8085	1.7847		2.6167	3.1674
H10	2.1563	2.9281	3.7267	2.8135	1.0963	3.8085	1.7809	3.1674	2.6167		1.7847
H11	2.1563	3.7267	2.9281	2.8135	1.0963	3.8085	1.7809	2.6167	3.1674	1.7847

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	111.054	C1	C4	H8	109.513
C1	C4	H9	109.513	C1	C5	H7	111.054
C1	C5	H10	109.513	C1	C5	H11	109.513
Cl2	C1	Cl3	107.731	Cl2	C1	C4	108.635
Cl2	C1	C5	108.635	Cl3	C1	C4	108.635
Cl3	C1	C5	108.635	C4	C1	C5	114.378
H6	C4	H8	108.876	H6	C4	H9	108.876
H7	C5	H10	108.876	H7	C5	H11	108.876
H8	C4	H9	108.974	H10	C5	H11	108.974

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

using model chemistry: BLYP/6-311+G(3df,2p)

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	-0.009
2	Cl	-0.301
3	Cl	-0.301
4	C	-0.188
5	C	-0.188
6	H	0.165
7	H	0.165
8	H	0.165
9	H	0.165
10	H	0.165
11	H	0.165

<r²>	192.607
(<r²>)^1/2	13.878

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

using model chemistry: BLYP/6-311+G(3df,2p)

States and conformations

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