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	hartrees
Energy at 0K	-1036.819165
Energy at 298.15K
HF Energy	-1036.074860
Nuclear repulsion energy	296.377970

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	3249	3051	7.37	67.48	0.74	0.85
2	A₁	3132	2942	11.36	245.73	0.00	0.01
3	A₁	1533	1440	3.89	13.46	0.74	0.85
4	A₁	1470	1381	6.45	0.98	0.40	0.58
5	A₁	1223	1148	29.29	3.37	0.34	0.51
6	A₁	970	911	7.57	7.69	0.70	0.83
7	A₁	590	554	13.06	16.44	0.02	0.04
8	A₁	379	356	0.33	2.18	0.33	0.50
9	A₁	269	252	0.97	2.93	0.71	0.83
10	A₂	3229	3033	0.00	10.02	0.75	0.86
11	A₂	1519	1426	0.00	14.79	0.75	0.86
12	A₂	1057	993	0.00	0.97	0.75	0.86
13	A₂	295	277	0.00	1.04	0.75	0.86
14	A₂	285	268	0.00	0.24	0.75	0.86
15	B₁	3234	3038	16.75	111.65	0.75	0.86
16	B₁	1539	1445	8.42	0.00	0.75	0.86
17	B₁	1182	1110	76.13	2.81	0.75	0.86
18	B₁	721	677	79.41	12.41	0.75	0.86
19	B₁	376	353	1.63	1.48	0.75	0.86
20	B₁	323	303	0.01	0.00	0.75	0.86
21	B₂	3247	3050	4.04	32.09	0.75	0.86
22	B₂	3129	2939	6.18	0.74	0.75	0.86
23	B₂	1519	1427	4.25	0.00	0.75	0.86
24	B₂	1451	1363	15.76	1.55	0.75	0.86
25	B₂	1256	1180	4.50	2.52	0.75	0.86
26	B₂	984	925	0.01	1.73	0.75	0.86
27	B₂	404	379	2.57	1.23	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.332
Cl2	1.456	0.000	-0.715
Cl3	-1.456	0.000	-0.715
C4	0.000	1.263	1.170
C5	0.000	-1.263	1.170
H6	0.000	2.146	0.537
H7	0.000	-2.146	0.537
H8	-0.887	1.277	1.800
H9	0.887	1.277	1.800
H10	0.887	-1.277	1.800
H11	-0.887	-1.277	1.800

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.7933	1.7933	1.5152	1.5152	2.1561	2.1561	2.1386	2.1386	2.1386	2.1386
Cl2	1.7933		2.9120	2.6954	2.6954	2.8800	2.8800	3.6669	2.8774	2.8774	3.6669
Cl3	1.7933	2.9120		2.6954	2.6954	2.8800	2.8800	2.8774	3.6669	3.6669	2.8774
C4	1.5152	2.6954	2.6954		2.5254	1.0864	3.4671	1.0884	1.0884	2.7635	2.7635
C5	1.5152	2.6954	2.6954	2.5254		3.4671	1.0864	2.7635	2.7635	1.0884	1.0884
H6	2.1561	2.8800	2.8800	1.0864	3.4671		4.2925	1.7708	1.7708	3.7554	3.7554
H7	2.1561	2.8800	2.8800	3.4671	1.0864	4.2925		3.7554	3.7554	1.7708	1.7708
H8	2.1386	3.6669	2.8774	1.0884	2.7635	1.7708	3.7554		1.7744	3.1107	2.5550
H9	2.1386	2.8774	3.6669	1.0884	2.7635	1.7708	3.7554	1.7744		2.5550	3.1107
H10	2.1386	2.8774	3.6669	2.7635	1.0884	3.7554	1.7708	3.1107	2.5550		1.7744
H11	2.1386	3.6669	2.8774	2.7635	1.0884	3.7554	1.7708	2.5550	3.1107	1.7744

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.860	C1	C4	H8	109.356
C1	C4	H9	109.356	C1	C5	H7	110.860
C1	C5	H10	109.356	C1	C5	H11	109.356
Cl2	C1	Cl3	108.567	Cl2	C1	C4	108.826
Cl2	C1	C5	108.826	Cl3	C1	C4	108.826
Cl3	C1	C5	108.826	C4	C1	C5	112.886
H6	C4	H8	109.022	H6	C4	H9	109.022
H7	C5	H10	109.022	H7	C5	H11	109.022
H8	C4	H9	109.201	H10	C5	H11	109.201

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

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

States and conformations

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