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	hartrees
Energy at 0K	-1036.340737
Energy at 298.15K
HF Energy	-1035.972810
Nuclear repulsion energy	286.196394

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	3187	3050	6.20	69.87	0.74	0.85
2	A₁	3077	2944	11.24	209.25	0.01	0.02
3	A₁	1558	1491	3.02	30.74	0.75	0.86
4	A₁	1503	1438	5.99	3.68	0.44	0.61
5	A₁	1246	1193	37.57	2.99	0.05	0.10
6	A₁	941	900	9.56	10.06	0.71	0.83
7	A₁	529	506	17.98	18.27	0.06	0.11
8	A₁	365	349	1.49	4.02	0.27	0.43
9	A₁	243	232	1.28	6.28	0.66	0.79
10	A₂	3161	3025	0.00	9.85	0.75	0.86
11	A₂	1550	1483	0.00	32.75	0.75	0.86
12	A₂	1080	1033	0.00	4.65	0.75	0.86
13	A₂	282	270	0.00	1.77	0.75	0.86
14	A₂	269	257	0.00	0.08	0.75	0.86
15	B₁	3167	3030	16.07	132.76	0.75	0.86
16	B₁	1566	1498	12.75	0.03	0.75	0.86
17	B₁	1203	1151	86.36	2.71	0.75	0.86
18	B₁	624	597	87.10	21.97	0.75	0.86
19	B₁	359	344	2.37	2.96	0.75	0.86
20	B₁	298	285	0.04	0.00	0.75	0.86
21	B₂	3186	3048	5.84	36.15	0.75	0.86
22	B₂	3074	2941	3.39	0.57	0.75	0.86
23	B₂	1545	1478	6.82	0.03	0.75	0.86
24	B₂	1487	1423	17.62	7.40	0.75	0.86
25	B₂	1264	1209	11.96	0.34	0.75	0.86
26	B₂	1006	963	0.08	1.53	0.75	0.86
27	B₂	378	362	4.16	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	1.839
H9	0.895	1.314	1.839
H10	0.895	-1.314	1.839
H11	-0.895	-1.314	1.839

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8997	1.8997	1.5246	1.5246	2.1736	2.1736	2.1534	2.1534	2.1534	2.1534
Cl2	1.8997		3.0579	2.7887	2.7887	2.9510	2.9510	3.7761	2.9639	2.9639	3.7761
Cl3	1.8997	3.0579		2.7887	2.7887	2.9510	2.9510	2.9639	3.7761	3.7761	2.9639
C4	1.5246	2.7887	2.7887		2.5738	1.0951	3.5150	1.0979	1.0979	2.8226	2.8226
C5	1.5246	2.7887	2.7887	2.5738		3.5150	1.0951	2.8226	2.8226	1.0979	1.0979
H6	2.1736	2.9510	2.9510	1.0951	3.5150		4.3345	1.7846	1.7846	3.8174	3.8174
H7	2.1736	2.9510	2.9510	3.5150	1.0951	4.3345		3.8174	3.8174	1.7846	1.7846
H8	2.1534	3.7761	2.9639	1.0979	2.8226	1.7846	3.8174		1.7902	3.1791	2.6271
H9	2.1534	2.9639	3.7761	1.0979	2.8226	1.7846	3.8174	1.7902		2.6271	3.1791
H10	2.1534	2.9639	3.7761	2.8226	1.0979	3.8174	1.7846	3.1791	2.6271		1.7902
H11	2.1534	3.7761	2.9639	2.8226	1.0979	3.8174	1.7846	2.6271	3.1791	1.7902

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	111.079	C1	C4	H8	109.313
C1	C4	H9	109.313	C1	C5	H7	111.079
C1	C5	H10	109.313	C1	C5	H11	109.313
Cl2	C1	Cl3	107.190	Cl2	C1	C4	108.557
Cl2	C1	C5	108.557	Cl3	C1	C4	108.557
Cl3	C1	C5	108.557	C4	C1	C5	115.144
H6	C4	H8	108.937	H6	C4	H9	108.937
H7	C5	H10	108.937	H7	C5	H11	108.937
H8	C4	H9	109.235	H10	C5	H11	109.235

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

using model chemistry: MP2/6-31G

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: MP2/6-31G

States and conformations

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