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	hartrees
Energy at 0K	-1037.068131
Energy at 298.15K
HF Energy	-1036.167301
Nuclear repulsion energy	297.133264

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	3191	3011	5.13	59.41	0.74	0.85
2	A₁	3079	2905	8.97	274.03	0.00	0.00
3	A₁	1507	1421	5.43	7.54	0.75	0.85
4	A₁	1423	1343	5.87	0.16	0.57	0.72
5	A₁	1191	1124	28.35	3.31	0.54	0.70
6	A₁	951	897	6.52	5.92	0.61	0.76
7	A₁	585	552	11.33	17.94	0.02	0.03
8	A₁	368	348	0.41	1.80	0.27	0.42
9	A₁	265	250	0.99	2.16	0.68	0.81
10	A₂	3171	2992	0.00	11.09	0.75	0.86
11	A₂	1495	1410	0.00	8.25	0.75	0.86
12	A₂	1030	971	0.00	0.11	0.75	0.86
13	A₂	291	275	0.00	1.04	0.75	0.86
14	A₂	281	265	0.00	0.16	0.75	0.86
15	B₁	3176	2997	12.09	100.16	0.75	0.86
16	B₁	1517	1431	6.25	0.02	0.75	0.86
17	B₁	1148	1083	73.83	3.90	0.75	0.86
18	B₁	713	673	72.31	9.34	0.75	0.86
19	B₁	367	346	1.80	1.03	0.75	0.86
20	B₁	318	300	0.01	0.00	0.75	0.86
21	B₂	3190	3009	2.44	27.73	0.75	0.86
22	B₂	3075	2901	3.55	2.25	0.75	0.86
23	B₂	1493	1408	4.25	0.02	0.75	0.86
24	B₂	1406	1326	16.02	0.07	0.75	0.86
25	B₂	1229	1159	3.42	2.95	0.75	0.86
26	B₂	959	905	0.01	1.02	0.75	0.86
27	B₂	397	374	2.13	0.82	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.333
Cl2	1.449	0.000	-0.713
Cl3	-1.449	0.000	-0.713
C4	0.000	1.264	1.167
C5	0.000	-1.264	1.167
H6	0.000	2.142	0.527
H7	0.000	-2.142	0.527
H8	-0.889	1.279	1.796
H9	0.889	1.279	1.796
H10	0.889	-1.279	1.796
H11	-0.889	-1.279	1.796

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.7868	1.7868	1.5143	1.5143	2.1512	2.1512	2.1372	2.1372	2.1372	2.1372
Cl2	1.7868		2.8982	2.6890	2.6890	2.8684	2.8684	3.6602	2.8711	2.8711	3.6602
Cl3	1.7868	2.8982		2.6890	2.6890	2.8684	2.8684	2.8711	3.6602	3.6602	2.8711
C4	1.5143	2.6890	2.6890		2.5271	1.0870	3.4655	1.0893	1.0893	2.7657	2.7657
C5	1.5143	2.6890	2.6890	2.5271		3.4655	1.0870	2.7657	2.7657	1.0893	1.0893
H6	2.1512	2.8684	2.8684	1.0870	3.4655		4.2847	1.7738	1.7738	3.7555	3.7555
H7	2.1512	2.8684	2.8684	3.4655	1.0870	4.2847		3.7555	3.7555	1.7738	1.7738
H8	2.1372	3.6602	2.8711	1.0893	2.7657	1.7738	3.7555		1.7783	3.1149	2.5574
H9	2.1372	2.8711	3.6602	1.0893	2.7657	1.7738	3.7555	1.7783		2.5574	3.1149
H10	2.1372	2.8711	3.6602	2.7657	1.0893	3.7555	1.7738	3.1149	2.5574		1.7783
H11	2.1372	3.6602	2.8711	2.7657	1.0893	3.7555	1.7738	2.5574	3.1149	1.7783

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.504	C1	C4	H8	109.260
C1	C4	H9	109.260	C1	C5	H7	110.504
C1	C5	H10	109.260	C1	C5	H11	109.260
Cl2	C1	Cl3	108.387	Cl2	C1	C4	108.809
Cl2	C1	C5	108.809	Cl3	C1	C4	108.809
Cl3	C1	C5	108.809	C4	C1	C5	113.115
H6	C4	H8	109.187	H6	C4	H9	109.187
H7	C5	H10	109.187	H7	C5	H11	109.187
H8	C4	H9	109.427	H10	C5	H11	109.427

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

using model chemistry: MP2/6-311+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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All results from a given calculation for CH3CCl2CH3 (Propane, 2,2-dichloro-)

using model chemistry: MP2/6-311+G(3df,2p)

States and conformations

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