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	hartrees
Energy at 0K	-1025.065957
Energy at 298.15K
HF Energy	-1024.881342
Nuclear repulsion energy	287.229102

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	3572	3175	0.30	34.45	0.75	0.86
2	A₁	3381	3005	0.04	75.18	0.01	0.01
3	A₁	1699	1511	0.50	26.45	0.75	0.86
4	A₁	1596	1419	0.02	3.37	0.33	0.50
5	A₁	1324	1177	40.98	1.71	0.16	0.28
6	A₁	1025	911	6.09	10.61	0.74	0.85
7	A₁	614	546	11.06	13.42	0.03	0.06
8	A₁	365	325	0.01	1.50	0.48	0.65
9	A₁	255	227	3.52	3.14	0.73	0.84
10	A₂	3563	3167	0.00	2.90	0.75	0.86
11	A₂	1696	1507	0.00	26.19	0.75	0.86
12	A₂	1134	1008	0.00	4.48	0.75	0.86
13	A₂	277	246	0.00	1.40	0.75	0.86
14	A₂	237	211	0.00	0.01	0.75	0.86
15	B₁	3564	3168	0.35	54.71	0.75	0.86
16	B₁	1705	1516	2.44	0.50	0.75	0.86
17	B₁	1294	1150	89.41	0.16	0.75	0.86
18	B₁	836	743	41.09	14.00	0.75	0.86
19	B₁	356	316	0.23	1.15	0.75	0.86
20	B₁	259	230	0.00	0.01	0.75	0.86
21	B₂	3570	3174	0.05	15.62	0.75	0.86
22	B₂	3381	3005	0.06	0.51	0.75	0.86
23	B₂	1694	1505	1.10	0.30	0.75	0.86
24	B₂	1584	1408	0.15	6.15	0.75	0.86
25	B₂	1329	1181	19.46	0.26	0.75	0.86
26	B₂	1058	940	0.22	2.79	0.75	0.86
27	B₂	383	341	7.22	2.20	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.342
Cl2	1.507	0.000	-0.738
Cl3	-1.507	0.000	-0.738
C4	0.000	1.305	1.209
C5	0.000	-1.305	1.209
H6	0.000	2.198	0.561
H7	0.000	-2.198	0.561
H8	-0.900	1.320	1.848
H9	0.900	1.320	1.848
H10	0.900	-1.320	1.848
H11	-0.900	-1.320	1.848

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8536	1.8536	1.5672	1.5672	2.2086	2.2086	2.1954	2.1954	2.1954	2.1954
Cl2	1.8536		3.0135	2.7865	2.7865	2.9642	2.9642	3.7708	2.9654	2.9654	3.7708
Cl3	1.8536	3.0135		2.7865	2.7865	2.9642	2.9642	2.9654	3.7708	3.7708	2.9654
C4	1.5672	2.7865	2.7865		2.6109	1.1029	3.5626	1.1037	1.1037	2.8480	2.8480
C5	1.5672	2.7865	2.7865	2.6109		3.5626	1.1029	2.8480	2.8480	1.1037	1.1037
H6	2.2086	2.9642	2.9642	1.1029	3.5626		4.3955	1.7989	1.7989	3.8523	3.8523
H7	2.2086	2.9642	2.9642	3.5626	1.1029	4.3955		3.8523	3.8523	1.7989	1.7989
H8	2.1954	3.7708	2.9654	1.1037	2.8480	1.7989	3.8523		1.8005	3.1955	2.6400
H9	2.1954	2.9654	3.7708	1.1037	2.8480	1.7989	3.8523	1.8005		2.6400	3.1955
H10	2.1954	2.9654	3.7708	2.8480	1.1037	3.8523	1.7989	3.1955	2.6400		1.8005
H11	2.1954	3.7708	2.9654	2.8480	1.1037	3.8523	1.7989	2.6400	3.1955	1.8005

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.408	C1	C4	H8	109.333
C1	C4	H9	109.333	C1	C5	H7	110.408
C1	C5	H10	109.333	C1	C5	H11	109.333
Cl2	C1	Cl3	108.760	Cl2	C1	C4	108.800
Cl2	C1	C5	108.800	Cl3	C1	C4	108.800
Cl3	C1	C5	108.800	C4	C1	C5	112.807
H6	C4	H8	109.224	H6	C4	H9	109.224
H7	C5	H10	109.224	H7	C5	H11	109.224
H8	C4	H9	109.300	H10	C5	H11	109.300

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

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

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