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	hartrees
Energy at 0K	-1036.658692
Energy at 298.15K
HF Energy	-1036.063498
Nuclear repulsion energy	296.396182

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3279	3036	8.53
2	A₁	3180	2944	11.28
3	A₁	1583	1466	2.61
4	A₁	1525	1412	6.38
5	A₁	1267	1173	32.39
6	A₁	994	920	7.90
7	A₁	605	560	16.47
8	A₁	388	359	0.49
9	A₁	276	256	1.27
10	A₂	3256	3014	0.00
11	A₂	1572	1455	0.00
12	A₂	1093	1012	0.00
13	A₂	303	280	0.00
14	A₂	291	269	0.00
15	B₁	3262	3020	20.24
16	B₁	1593	1474	7.83
17	B₁	1224	1134	89.86
18	B₁	744	689	92.14
19	B₁	384	355	1.92
20	B₁	327	303	0.02
21	B₂	3277	3034	5.56
22	B₂	3175	2939	5.14
23	B₂	1570	1453	4.62
24	B₂	1508	1396	13.77
25	B₂	1295	1199	4.48
26	B₂	1015	940	0.25
27	B₂	413	382	3.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.332
Cl2	1.455	0.000	-0.715
Cl3	-1.455	0.000	-0.715
C4	0.000	1.264	1.169
C5	0.000	-1.264	1.169
H6	0.000	2.146	0.537
H7	0.000	-2.146	0.537
H8	-0.886	1.281	1.800
H9	0.886	1.281	1.800
H10	0.886	-1.281	1.800
H11	-0.886	-1.281	1.800

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.7924	1.7924	1.5163	1.5163	2.1560	2.1560	2.1407	2.1407	2.1407	2.1407
Cl2	1.7924		2.9105	2.6954	2.6954	2.8792	2.8792	3.6673	2.8791	2.8791	3.6673
Cl3	1.7924	2.9105		2.6954	2.6954	2.8792	2.8792	2.8791	3.6673	3.6673	2.8791
C4	1.5163	2.6954	2.6954		2.5277	1.0859	3.4683	1.0881	1.0881	2.7674	2.7674
C5	1.5163	2.6954	2.6954	2.5277		3.4683	1.0859	2.7674	2.7674	1.0881	1.0881
H6	2.1560	2.8792	2.8792	1.0859	3.4683		4.2925	1.7697	1.7697	3.7586	3.7586
H7	2.1560	2.8792	2.8792	3.4683	1.0859	4.2925		3.7586	3.7586	1.7697	1.7697
H8	2.1407	3.6673	2.8791	1.0881	2.7674	1.7697	3.7586		1.7728	3.1152	2.5616
H9	2.1407	2.8791	3.6673	1.0881	2.7674	1.7697	3.7586	1.7728		2.5616	3.1152
H10	2.1407	2.8791	3.6673	2.7674	1.0881	3.7586	1.7697	3.1152	2.5616		1.7728
H11	2.1407	3.6673	2.8791	2.7674	1.0881	3.7586	1.7697	2.5616	3.1152	1.7728

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.811	C1	C4	H8	109.468
C1	C4	H9	109.468	C1	C5	H7	110.811
C1	C5	H10	109.468	C1	C5	H11	109.468
Cl2	C1	Cl3	108.563	Cl2	C1	C4	108.817
Cl2	C1	C5	108.817	Cl3	C1	C4	108.817
Cl3	C1	C5	108.817	C4	C1	C5	112.925
H6	C4	H8	108.980	H6	C4	H9	108.980
H7	C5	H10	108.980	H7	C5	H11	108.980
H8	C4	H9	109.107	H10	C5	H11	109.107

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

using model chemistry: CISD/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: CISD/6-31G*

States and conformations

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