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	hartrees
Energy at 0K	-1036.808207
Energy at 298.15K
HF Energy	-1036.072947
Nuclear repulsion energy	296.581481

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	3263	3049	6.86	66.57	0.74	0.85
2	A₁	3145	2939	8.91	190.60	0.00	0.01
3	A₁	1549	1447	2.24	24.31	0.75	0.86
4	A₁	1476	1380	5.26	2.33	0.36	0.53
5	A₁	1232	1151	29.89	0.88	0.21	0.35
6	A₁	974	910	7.51	7.53	0.75	0.86
7	A₁	593	554	13.52	11.99	0.04	0.08
8	A₁	379	354	0.39	1.93	0.37	0.54
9	A₁	271	253	1.14	3.62	0.66	0.80
10	A₂	3243	3030	0.00	8.29	0.75	0.86
11	A₂	1537	1437	0.00	25.26	0.75	0.86
12	A₂	1060	991	0.00	3.42	0.75	0.86
13	A₂	300	280	0.00	0.73	0.75	0.86
14	A₂	289	270	0.00	0.41	0.75	0.86
15	B₁	3248	3035	16.10	110.28	0.75	0.86
16	B₁	1559	1456	6.53	0.01	0.75	0.86
17	B₁	1190	1112	77.84	0.76	0.75	0.86
18	B₁	728	681	78.47	12.50	0.75	0.86
19	B₁	375	351	1.51	1.14	0.75	0.86
20	B₁	329	308	0.02	0.01	0.75	0.86
21	B₂	3261	3047	3.97	33.26	0.75	0.86
22	B₂	3142	2936	4.23	0.02	0.75	0.86
23	B₂	1535	1434	3.95	0.03	0.75	0.86
24	B₂	1458	1362	12.26	4.36	0.75	0.86
25	B₂	1264	1181	5.83	0.31	0.75	0.86
26	B₂	987	923	0.08	2.27	0.75	0.86
27	B₂	403	376	3.22	1.29	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.330
Cl2	1.457	0.000	-0.713
Cl3	-1.457	0.000	-0.713
C4	0.000	1.262	1.166
C5	0.000	-1.262	1.166
H6	0.000	2.143	0.531
H7	0.000	-2.143	0.531
H8	-0.887	1.278	1.796
H9	0.887	1.278	1.796
H10	0.887	-1.278	1.796
H11	-0.887	-1.278	1.796

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.7919	1.7919	1.5142	1.5142	2.1521	2.1521	2.1371	2.1371	2.1371	2.1371
Cl2	1.7919		2.9144	2.6921	2.6921	2.8743	2.8743	3.6632	2.8724	2.8724	3.6632
Cl3	1.7919	2.9144		2.6921	2.6921	2.8743	2.8743	2.8724	3.6632	3.6632	2.8724
C4	1.5142	2.6921	2.6921		2.5247	1.0855	3.4638	1.0875	1.0875	2.7632	2.7632
C5	1.5142	2.6921	2.6921	2.5247		3.4638	1.0855	2.7632	2.7632	1.0875	1.0875
H6	2.1521	2.8743	2.8743	1.0855	3.4638		4.2853	1.7700	1.7700	3.7530	3.7530
H7	2.1521	2.8743	2.8743	3.4638	1.0855	4.2853		3.7530	3.7530	1.7700	1.7700
H8	2.1371	3.6632	2.8724	1.0875	2.7632	1.7700	3.7530		1.7733	3.1107	2.5557
H9	2.1371	2.8724	3.6632	1.0875	2.7632	1.7700	3.7530	1.7733		2.5557	3.1107
H10	2.1371	2.8724	3.6632	2.7632	1.0875	3.7530	1.7700	3.1107	2.5557		1.7733
H11	2.1371	3.6632	2.8724	2.7632	1.0875	3.7530	1.7700	2.5557	3.1107	1.7733

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.671	C1	C4	H8	109.360
C1	C4	H9	109.360	C1	C5	H7	110.671
C1	C5	H10	109.360	C1	C5	H11	109.360
Cl2	C1	Cl3	108.827	Cl2	C1	C4	108.746
Cl2	C1	C5	108.746	Cl3	C1	C4	108.746
Cl3	C1	C5	108.746	C4	C1	C5	112.958
H6	C4	H8	109.092	H6	C4	H9	109.092
H7	C5	H10	109.092	H7	C5	H11	109.092
H8	C4	H9	109.244	H10	C5	H11	109.244

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

using model chemistry: MP2=FULL/6-31G**

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=FULL/6-31G**

States and conformations

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