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	hartrees
Energy at 0K	-1037.037647
Energy at 298.15K
HF Energy	-1036.143671
Nuclear repulsion energy	296.551450

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	3205	3040	7.26	68.16	0.75	0.86
2	A₁	3096	2937	9.57	230.82	0.00	0.01
3	A₁	1507	1429	2.99	13.42	0.74	0.85
4	A₁	1444	1370	5.58	0.25	0.67	0.80
5	A₁	1209	1147	33.30	1.94	0.49	0.66
6	A₁	969	919	6.02	5.95	0.73	0.85
7	A₁	592	562	12.19	11.20	0.04	0.08
8	A₁	377	357	0.48	2.23	0.53	0.69
9	A₁	273	259	0.66	4.24	0.64	0.78
10	A₂	3187	3023	0.00	11.04	0.75	0.86
11	A₂	1488	1411	0.00	16.35	0.75	0.86
12	A₂	1039	985	0.00	1.50	0.75	0.86
13	A₂	303	287	0.00	1.03	0.75	0.86
14	A₂	291	277	0.00	0.51	0.75	0.86
15	B₁	3192	3028	16.76	121.31	0.75	0.86
16	B₁	1509	1431	5.11	0.00	0.75	0.86
17	B₁	1165	1105	81.78	3.94	0.75	0.86
18	B₁	726	689	79.16	12.98	0.75	0.86
19	B₁	376	356	1.54	1.43	0.75	0.86
20	B₁	341	323	0.01	0.00	0.75	0.86
21	B₂	3203	3039	3.71	37.81	0.75	0.86
22	B₂	3092	2933	4.00	0.21	0.75	0.86
23	B₂	1490	1413	3.06	0.00	0.75	0.86
24	B₂	1422	1349	15.07	1.12	0.75	0.86
25	B₂	1248	1184	5.24	0.94	0.75	0.86
26	B₂	973	923	0.09	1.55	0.75	0.86
27	B₂	400	380	2.51	0.80	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.329
Cl2	1.458	0.000	-0.710
Cl3	-1.458	0.000	-0.710
C4	0.000	1.265	1.163
C5	0.000	-1.265	1.163
H6	0.000	2.147	0.523
H7	0.000	-2.147	0.523
H8	-0.892	1.283	1.794
H9	0.892	1.283	1.794
H10	0.892	-1.283	1.794
H11	-0.892	-1.283	1.794

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.7905	1.7905	1.5148	1.5148	2.1555	2.1555	2.1413	2.1413	2.1413	2.1413
Cl2	1.7905		2.9151	2.6897	2.6897	2.8729	2.8729	3.6656	2.8698	2.8698	3.6656
Cl3	1.7905	2.9151		2.6897	2.6897	2.8729	2.8729	2.8698	3.6656	3.6656	2.8698
C4	1.5148	2.6897	2.6897		2.5292	1.0904	3.4711	1.0925	1.0925	2.7716	2.7716
C5	1.5148	2.6897	2.6897	2.5292		3.4711	1.0904	2.7716	2.7716	1.0925	1.0925
H6	2.1555	2.8729	2.8729	1.0904	3.4711		4.2937	1.7772	1.7772	3.7647	3.7647
H7	2.1555	2.8729	2.8729	3.4711	1.0904	4.2937		3.7647	3.7647	1.7772	1.7772
H8	2.1413	3.6656	2.8698	1.0925	2.7716	1.7772	3.7647		1.7841	3.1247	2.5653
H9	2.1413	2.8698	3.6656	1.0925	2.7716	1.7772	3.7647	1.7841		2.5653	3.1247
H10	2.1413	2.8698	3.6656	2.7716	1.0925	3.7647	1.7772	3.1247	2.5653		1.7841
H11	2.1413	3.6656	2.8698	2.7716	1.0925	3.7647	1.7772	2.5653	3.1247	1.7841

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.609	C1	C4	H8	109.357
C1	C4	H9	109.357	C1	C5	H7	110.609
C1	C5	H10	109.357	C1	C5	H11	109.357
Cl2	C1	Cl3	108.989	Cl2	C1	C4	108.646
Cl2	C1	C5	108.646	Cl3	C1	C4	108.646
Cl3	C1	C5	108.646	C4	C1	C5	113.198
H6	C4	H8	109.009	H6	C4	H9	109.009
H7	C5	H10	109.009	H7	C5	H11	109.009
H8	C4	H9	109.483	H10	C5	H11	109.483

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

using model chemistry: MP2=FULL/6-311G**

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/6-311G**

States and conformations

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