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	hartrees
Energy at 0K	-1036.350462
Energy at 298.15K
HF Energy	-1035.972853
Nuclear repulsion energy	286.249407

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	3029	6.17	69.80	0.74	0.85
2	A₁	3078	2924	11.20	209.22	0.01	0.02
3	A₁	1558	1480	3.04	30.74	0.75	0.86
4	A₁	1503	1428	6.04	3.69	0.44	0.61
5	A₁	1246	1184	37.57	3.01	0.05	0.10
6	A₁	941	894	9.51	10.04	0.71	0.83
7	A₁	529	503	17.93	18.28	0.06	0.11
8	A₁	365	347	1.48	3.99	0.27	0.43
9	A₁	243	231	1.28	6.28	0.66	0.79
10	A₂	3162	3004	0.00	9.88	0.75	0.86
11	A₂	1550	1472	0.00	32.75	0.75	0.86
12	A₂	1080	1026	0.00	4.65	0.75	0.86
13	A₂	282	268	0.00	1.77	0.75	0.86
14	A₂	269	256	0.00	0.09	0.75	0.86
15	B₁	3167	3009	15.99	132.72	0.75	0.86
16	B₁	1566	1488	12.79	0.03	0.75	0.86
17	B₁	1203	1143	86.35	2.73	0.75	0.86
18	B₁	625	594	86.92	21.98	0.75	0.86
19	B₁	359	341	2.33	2.95	0.75	0.86
20	B₁	299	284	0.04	0.00	0.75	0.86
21	B₂	3186	3027	5.80	36.14	0.75	0.86
22	B₂	3075	2921	3.38	0.58	0.75	0.86
23	B₂	1545	1468	6.83	0.03	0.75	0.86
24	B₂	1487	1413	17.75	7.41	0.75	0.86
25	B₂	1265	1201	11.96	0.34	0.75	0.86
26	B₂	1007	957	0.09	1.53	0.75	0.86
27	B₂	379	360	4.14	2.38	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.386
Cl2	1.529	0.000	-0.742
Cl3	-1.529	0.000	-0.742
C4	0.000	1.287	1.203
C5	0.000	-1.287	1.203
H6	0.000	2.167	0.552
H7	0.000	-2.167	0.552
H8	-0.895	1.314	1.838
H9	0.895	1.314	1.838
H10	0.895	-1.314	1.838
H11	-0.895	-1.314	1.838

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8995	1.8995	1.5242	1.5242	2.1732	2.1732	2.1531	2.1531	2.1531	2.1531
Cl2	1.8995		3.0573	2.7881	2.7881	2.9504	2.9504	3.7756	2.9635	2.9635	3.7756
Cl3	1.8995	3.0573		2.7881	2.7881	2.9504	2.9504	2.9635	3.7756	3.7756	2.9635
C4	1.5242	2.7881	2.7881		2.5731	1.0950	3.5142	1.0978	1.0978	2.8223	2.8223
C5	1.5242	2.7881	2.7881	2.5731		3.5142	1.0950	2.8223	2.8223	1.0978	1.0978
H6	2.1732	2.9504	2.9504	1.0950	3.5142		4.3336	1.7843	1.7843	3.8169	3.8169
H7	2.1732	2.9504	2.9504	3.5142	1.0950	4.3336		3.8169	3.8169	1.7843	1.7843
H8	2.1531	3.7756	2.9635	1.0978	2.8223	1.7843	3.8169		1.7899	3.1790	2.6272
H9	2.1531	2.9635	3.7756	1.0978	2.8223	1.7843	3.8169	1.7899		2.6272	3.1790
H10	2.1531	2.9635	3.7756	2.8223	1.0978	3.8169	1.7843	3.1790	2.6272		1.7899
H11	2.1531	3.7756	2.9635	2.8223	1.0978	3.8169	1.7843	2.6272	3.1790	1.7899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	111.080	C1	C4	H8	109.330
C1	C4	H9	109.330	C1	C5	H7	111.080
C1	C5	H10	109.330	C1	C5	H11	109.330
Cl2	C1	Cl3	107.177	Cl2	C1	C4	108.558
Cl2	C1	C5	108.558	Cl3	C1	C4	108.558
Cl3	C1	C5	108.558	C4	C1	C5	115.153
H6	C4	H8	108.923	H6	C4	H9	108.923
H7	C5	H10	108.923	H7	C5	H11	108.923
H8	C4	H9	109.229	H10	C5	H11	109.229

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-)