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	hartrees
Energy at 0K	-49.558562
Energy at 298.15K
HF Energy	-49.238675
Nuclear repulsion energy	97.492545

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	3176	3069	27.33	68.00	0.75	0.86
2	A₁	3049	2946	29.69	290.31	0.01	0.01
3	A₁	1511	1460	2.71	22.50	0.75	0.86
4	A₁	1466	1416	3.96	1.52	0.44	0.61
5	A₁	1216	1175	46.54	3.59	0.19	0.31
6	A₁	927	895	7.93	11.48	0.74	0.85
7	A₁	526	508	15.62	21.59	0.05	0.10
8	A₁	352	340	0.93	5.42	0.46	0.63
9	A₁	243	235	1.15	7.95	0.68	0.81
10	A₂	3154	3048	0.00	7.98	0.75	0.86
11	A₂	1504	1454	0.00	27.09	0.75	0.86
12	A₂	1057	1021	0.00	7.36	0.75	0.86
13	A₂	276	266	0.00	2.97	0.75	0.86
14	A₂	258	249	0.00	0.05	0.75	0.86
15	B₁	3159	3053	48.45	133.71	0.75	0.86
16	B₁	1520	1469	12.36	0.08	0.75	0.86
17	B₁	1177	1137	94.73	2.71	0.75	0.86
18	B₁	646	624	80.87	18.77	0.75	0.86
19	B₁	354	342	1.68	5.36	0.75	0.86
20	B₁	295	285	0.01	0.00	0.75	0.86
21	B₂	3172	3065	15.57	46.60	0.75	0.86
22	B₂	3047	2944	14.85	0.03	0.75	0.86
23	B₂	1499	1448	4.90	0.03	0.75	0.86
24	B₂	1447	1398	11.68	3.68	0.75	0.86
25	B₂	1238	1196	13.22	0.02	0.75	0.86
26	B₂	975	942	0.24	1.59	0.75	0.86
27	B₂	371	359	3.94	3.35	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.375
Cl2	1.536	0.000	-0.747
Cl3	-1.536	0.000	-0.747
C4	0.000	1.311	1.216
C5	0.000	-1.311	1.216
H6	0.000	2.200	0.557
H7	0.000	-2.200	0.557
H8	-0.906	1.334	1.857
H9	0.906	1.334	1.857
H10	0.906	-1.334	1.857
H11	-0.906	-1.334	1.857

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.9018	1.9018	1.5580	1.5580	2.2077	2.2077	2.1902	2.1902	2.1902	2.1902
Cl2	1.9018		3.0719	2.8163	2.8163	2.9830	2.9830	3.8107	2.9925	2.9925	3.8107
Cl3	1.9018	3.0719		2.8163	2.8163	2.9830	2.9830	2.9925	3.8107	3.8107	2.9925
C4	1.5580	2.8163	2.8163		2.6226	1.1069	3.5729	1.1099	1.1099	2.8686	2.8686
C5	1.5580	2.8163	2.8163	2.6226		3.5729	1.1069	2.8686	2.8686	1.1099	1.1099
H6	2.2077	2.9830	2.9830	1.1069	3.5729		4.4003	1.8060	1.8060	3.8732	3.8732
H7	2.2077	2.9830	2.9830	3.5729	1.1069	4.4003		3.8732	3.8732	1.8060	1.8060
H8	2.1902	3.8107	2.9925	1.1099	2.8686	1.8060	3.8732		1.8120	3.2252	2.6680
H9	2.1902	2.9925	3.8107	1.1099	2.8686	1.8060	3.8732	1.8120		2.6680	3.2252
H10	2.1902	2.9925	3.8107	2.8686	1.1099	3.8732	1.8060	3.2252	2.6680		1.8120
H11	2.1902	3.8107	2.9925	2.8686	1.1099	3.8732	1.8060	2.6680	3.2252	1.8120

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.739	C1	C4	H8	109.206
C1	C4	H9	109.206	C1	C5	H7	110.739
C1	C5	H10	109.206	C1	C5	H11	109.206
Cl2	C1	Cl3	107.728	Cl2	C1	C4	108.570
Cl2	C1	C5	108.570	Cl3	C1	C4	108.570
Cl3	C1	C5	108.570	C4	C1	C5	114.629
H6	C4	H8	109.120	H6	C4	H9	109.120
H7	C5	H10	109.120	H7	C5	H11	109.120
H8	C4	H9	109.432	H10	C5	H11	109.432

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

using model chemistry: MP2/CEP-31G

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/CEP-31G

States and conformations

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