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	hartrees
Energy at 0K	-1037.891451
Energy at 298.15K
HF Energy	-1037.647553
Nuclear repulsion energy	294.206834

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	3197	3040	7.73	73.02	0.73	0.85
2	A₁	3094	2943	13.21	264.81	0.00	0.01
3	A₁	1516	1442	3.85	13.51	0.74	0.85
4	A₁	1452	1381	5.70	1.41	0.29	0.45
5	A₁	1202	1143	34.17	3.68	0.26	0.42
6	A₁	939	893	10.19	8.07	0.73	0.84
7	A₁	567	539	17.00	19.11	0.02	0.05
8	A₁	371	353	0.76	2.86	0.30	0.46
9	A₁	259	246	1.04	3.34	0.69	0.82
10	A₂	3173	3017	0.00	12.43	0.75	0.86
11	A₂	1504	1430	0.00	15.15	0.75	0.86
12	A₂	1045	994	0.00	0.83	0.75	0.86
13	A₂	288	274	0.00	1.27	0.75	0.86
14	A₂	274	261	0.00	0.15	0.75	0.86
15	B₁	3179	3023	19.35	124.19	0.75	0.86
16	B₁	1525	1450	8.03	0.02	0.75	0.86
17	B₁	1160	1103	84.23	2.93	0.75	0.86
18	B₁	665	633	103.39	13.85	0.75	0.86
19	B₁	367	349	3.30	1.99	0.75	0.86
20	B₁	310	295	0.01	0.00	0.75	0.86
21	B₂	3196	3039	4.96	34.89	0.75	0.86
22	B₂	3090	2938	6.13	2.04	0.75	0.86
23	B₂	1502	1428	4.60	0.01	0.75	0.86
24	B₂	1434	1364	14.87	1.97	0.75	0.86
25	B₂	1232	1172	6.16	2.10	0.75	0.86
26	B₂	969	921	0.00	1.68	0.75	0.86
27	B₂	395	376	3.02	1.36	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.342
Cl2	1.470	0.000	-0.720
Cl3	-1.470	0.000	-0.720
C4	0.000	1.270	1.176
C5	0.000	-1.270	1.176
H6	0.000	2.153	0.540
H7	0.000	-2.153	0.540
H8	-0.889	1.288	1.808
H9	0.889	1.288	1.808
H10	0.889	-1.288	1.808
H11	-0.889	-1.288	1.808

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8135	1.8135	1.5195	1.5195	2.1624	2.1624	2.1446	2.1446	2.1446	2.1446
Cl2	1.8135		2.9398	2.7145	2.7145	2.8955	2.8955	3.6899	2.8964	2.8964	3.6899
Cl3	1.8135	2.9398		2.7145	2.7145	2.8955	2.8955	2.8964	3.6899	3.6899	2.8964
C4	1.5195	2.7145	2.7145		2.5405	1.0886	3.4823	1.0910	1.0910	2.7814	2.7814
C5	1.5195	2.7145	2.7145	2.5405		3.4823	1.0886	2.7814	2.7814	1.0910	1.0910
H6	2.1624	2.8955	2.8955	1.0886	3.4823		4.3067	1.7743	1.7743	3.7742	3.7742
H7	2.1624	2.8955	2.8955	3.4823	1.0886	4.3067		3.7742	3.7742	1.7743	1.7743
H8	2.1446	3.6899	2.8964	1.0910	2.7814	1.7743	3.7742		1.7777	3.1304	2.5766
H9	2.1446	2.8964	3.6899	1.0910	2.7814	1.7743	3.7742	1.7777		2.5766	3.1304
H10	2.1446	2.8964	3.6899	2.7814	1.0910	3.7742	1.7743	3.1304	2.5766		1.7777
H11	2.1446	3.6899	2.8964	2.7814	1.0910	3.7742	1.7743	2.5766	3.1304	1.7777

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.941	C1	C4	H8	109.384
C1	C4	H9	109.384	C1	C5	H7	110.941
C1	C5	H10	109.384	C1	C5	H11	109.384
Cl2	C1	Cl3	108.300	Cl2	C1	C4	108.747
Cl2	C1	C5	108.747	Cl3	C1	C4	108.747
Cl3	C1	C5	108.747	C4	C1	C5	113.436
H6	C4	H8	108.989	H6	C4	H9	108.989
H7	C5	H10	108.989	H7	C5	H11	108.989
H8	C4	H9	109.127	H10	C5	H11	109.127

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

using model chemistry: B2PLYP=FULL/6-31+G**

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: B2PLYP=FULL/6-31+G**

States and conformations

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