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	hartrees
Energy at 0K	-1037.111584
Energy at 298.15K
HF Energy	-1036.183044
Nuclear repulsion energy	296.622077

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	3188	3038	5.00	59.10	0.74	0.85
2	A₁	3077	2932	9.29	294.98	0.00	0.00
3	A₁	1504	1434	4.68	7.18	0.74	0.85
4	A₁	1424	1357	5.78	0.22	0.48	0.65
5	A₁	1195	1138	28.66	3.63	0.51	0.68
6	A₁	950	906	7.03	5.88	0.61	0.76
7	A₁	579	552	12.09	19.09	0.02	0.03
8	A₁	364	347	0.41	1.93	0.24	0.39
9	A₁	258	246	1.01	2.21	0.65	0.79
10	A₂	3167	3018	0.00	11.60	0.75	0.86
11	A₂	1493	1422	0.00	7.95	0.75	0.86
12	A₂	1033	985	0.00	0.10	0.75	0.86
13	A₂	285	272	0.00	1.08	0.75	0.86
14	A₂	273	260	0.00	0.07	0.75	0.86
15	B₁	3172	3023	11.89	100.87	0.75	0.86
16	B₁	1515	1444	5.51	0.02	0.75	0.86
17	B₁	1150	1096	72.63	4.48	0.75	0.86
18	B₁	701	668	75.02	9.67	0.75	0.86
19	B₁	362	345	1.76	1.05	0.75	0.86
20	B₁	309	294	0.01	0.00	0.75	0.86
21	B₂	3186	3036	2.40	27.82	0.75	0.86
22	B₂	3075	2930	3.47	2.22	0.75	0.86
23	B₂	1490	1420	3.94	0.02	0.75	0.86
24	B₂	1408	1342	16.08	0.08	0.75	0.86
25	B₂	1233	1175	3.76	2.76	0.75	0.86
26	B₂	963	917	0.00	0.95	0.75	0.86
27	B₂	390	372	2.35	0.83	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.338
Cl2	1.454	0.000	-0.714
Cl3	-1.454	0.000	-0.714
C4	0.000	1.265	1.167
C5	0.000	-1.265	1.167
H6	0.000	2.141	0.524
H7	0.000	-2.141	0.524
H8	-0.890	1.280	1.796
H9	0.890	1.280	1.796
H10	0.890	-1.280	1.796
H11	-0.890	-1.280	1.796

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.7940	1.7940	1.5125	1.5125	2.1488	2.1488	2.1349	2.1349	2.1349	2.1349
Cl2	1.7940		2.9075	2.6926	2.6926	2.8683	2.8683	3.6645	2.8732	2.8732	3.6645
Cl3	1.7940	2.9075		2.6926	2.6926	2.8683	2.8683	2.8732	3.6645	3.6645	2.8732
C4	1.5125	2.6926	2.6926		2.5291	1.0871	3.4655	1.0895	1.0895	2.7683	2.7683
C5	1.5125	2.6926	2.6926	2.5291		3.4655	1.0871	2.7683	2.7683	1.0895	1.0895
H6	2.1488	2.8683	2.8683	1.0871	3.4655		4.2814	1.7748	1.7748	3.7569	3.7569
H7	2.1488	2.8683	2.8683	3.4655	1.0871	4.2814		3.7569	3.7569	1.7748	1.7748
H8	2.1349	3.6645	2.8732	1.0895	2.7683	1.7748	3.7569		1.7794	3.1184	2.5608
H9	2.1349	2.8732	3.6645	1.0895	2.7683	1.7748	3.7569	1.7794		2.5608	3.1184
H10	2.1349	2.8732	3.6645	2.7683	1.0895	3.7569	1.7748	3.1184	2.5608		1.7794
H11	2.1349	3.6645	2.8732	2.7683	1.0895	3.7569	1.7748	2.5608	3.1184	1.7794

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.431	C1	C4	H8	109.190
C1	C4	H9	109.190	C1	C5	H7	110.431
C1	C5	H10	109.190	C1	C5	H11	109.190
Cl2	C1	Cl3	108.260	Cl2	C1	C4	108.751
Cl2	C1	C5	108.751	Cl3	C1	C4	108.751
Cl3	C1	C5	108.751	C4	C1	C5	113.458
H6	C4	H8	109.257	H6	C4	H9	109.257
H7	C5	H10	109.257	H7	C5	H11	109.257
H8	C4	H9	109.501	H10	C5	H11	109.501

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

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

States and conformations

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