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	hartrees
Energy at 0K	-1037.243550
Energy at 298.15K
HF Energy	-1036.182791
Nuclear repulsion energy	298.010626

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	3186	3031	4.92	58.61	0.74	0.85
2	A₁	3089	2939	9.19	291.94	0.00	0.00
3	A₁	1513	1439	4.64	7.11	0.74	0.85
4	A₁	1432	1362	6.85	0.23	0.52	0.68
5	A₁	1205	1146	28.36	3.77	0.53	0.69
6	A₁	964	917	6.02	5.54	0.61	0.76
7	A₁	587	558	11.67	18.55	0.02	0.03
8	A₁	371	353	0.43	1.84	0.23	0.38
9	A₁	261	248	1.02	2.16	0.65	0.79
10	A₂	3167	3013	0.00	11.41	0.75	0.86
11	A₂	1499	1426	0.00	7.91	0.75	0.86
12	A₂	1038	988	0.00	0.08	0.75	0.86
13	A₂	288	274	0.00	1.11	0.75	0.86
14	A₂	264	251	0.00	0.01	0.75	0.86
15	B₁	3172	3018	11.59	99.66	0.75	0.86
16	B₁	1522	1448	5.56	0.02	0.75	0.86
17	B₁	1161	1104	73.76	4.59	0.75	0.86
18	B₁	714	680	72.13	9.40	0.75	0.86
19	B₁	367	349	1.70	0.97	0.75	0.86
20	B₁	308	293	0.01	0.00	0.75	0.86
21	B₂	3184	3029	2.43	27.31	0.75	0.86
22	B₂	3087	2937	3.42	2.25	0.75	0.86
23	B₂	1494	1421	3.89	0.02	0.75	0.86
24	B₂	1410	1341	17.76	0.08	0.75	0.86
25	B₂	1244	1183	3.37	2.74	0.75	0.86
26	B₂	967	920	0.02	0.86	0.75	0.86
27	B₂	394	375	2.21	0.78	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.334
Cl2	1.448	0.000	-0.710
Cl3	-1.448	0.000	-0.710
C4	0.000	1.256	1.161
C5	0.000	-1.256	1.161
H6	0.000	2.131	0.520
H7	0.000	-2.131	0.520
H8	-0.888	1.272	1.788
H9	0.888	1.272	1.788
H10	0.888	-1.272	1.788
H11	-0.888	-1.272	1.788

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.7851	1.7851	1.5040	1.5040	2.1395	2.1395	2.1263	2.1263	2.1263	2.1263
Cl2	1.7851		2.8969	2.6786	2.6786	2.8553	2.8553	3.6489	2.8583	2.8583	3.6489
Cl3	1.7851	2.8969		2.6786	2.6786	2.8553	2.8553	2.8583	3.6489	3.6489	2.8583
C4	1.5040	2.6786	2.6786		2.5120	1.0851	3.4475	1.0871	1.0871	2.7516	2.7516
C5	1.5040	2.6786	2.6786	2.5120		3.4475	1.0851	2.7516	2.7516	1.0871	1.0871
H6	2.1395	2.8553	2.8553	1.0851	3.4475		4.2628	1.7707	1.7707	3.7388	3.7388
H7	2.1395	2.8553	2.8553	3.4475	1.0851	4.2628		3.7388	3.7388	1.7707	1.7707
H8	2.1263	3.6489	2.8583	1.0871	2.7516	1.7707	3.7388		1.7759	3.1023	2.5437
H9	2.1263	2.8583	3.6489	1.0871	2.7516	1.7707	3.7388	1.7759		2.5437	3.1023
H10	2.1263	2.8583	3.6489	2.7516	1.0871	3.7388	1.7707	3.1023	2.5437		1.7759
H11	2.1263	3.6489	2.8583	2.7516	1.0871	3.7388	1.7707	2.5437	3.1023	1.7759

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.406	C1	C4	H8	109.234
C1	C4	H9	109.234	C1	C5	H7	110.406
C1	C5	H10	109.234	C1	C5	H11	109.234
Cl2	C1	Cl3	108.466	Cl2	C1	C4	108.755
Cl2	C1	C5	108.755	Cl3	C1	C4	108.755
Cl3	C1	C5	108.755	C4	C1	C5	113.253
H6	C4	H8	109.208	H6	C4	H9	109.208
H7	C5	H10	109.208	H7	C5	H11	109.208
H8	C4	H9	109.535	H10	C5	H11	109.535

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

using model chemistry: MP2=FULL/aug-cc-pVTZ

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

using model chemistry: MP2=FULL/aug-cc-pVTZ

States and conformations

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