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	hartrees
Energy at 0K	-1036.892051
Energy at 298.15K
HF Energy	-1036.134710
Nuclear repulsion energy	295.309046

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3160	3013	10.41
2	A₁	3064	2922	12.71
3	A₁	1521	1450	3.23
4	A₁	1468	1400	7.21
5	A₁	1225	1168	33.19
6	A₁	965	920	5.94
7	A₁	587	560	13.26
8	A₁	378	360	0.62
9	A₁	271	258	0.71
10	A₂	3139	2993	0.00
11	A₂	1506	1436	0.00
12	A₂	1056	1006	0.00
13	A₂	297	283	0.00
14	A₂	289	275	0.00
15	B₁	3145	2999	23.78
16	B₁	1529	1458	6.76
17	B₁	1182	1127	85.13
18	B₁	717	684	83.66
19	B₁	374	357	1.93
20	B₁	329	314	0.02
21	B₂	3158	3011	5.97
22	B₂	3060	2917	5.54
23	B₂	1505	1435	4.41
24	B₂	1450	1383	17.39
25	B₂	1253	1195	4.26
26	B₂	983	937	0.21
27	B₂	399	381	2.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.334
Cl2	1.462	0.000	-0.715
Cl3	-1.462	0.000	-0.715
C4	0.000	1.271	1.169
C5	0.000	-1.271	1.169
H6	0.000	2.155	0.527
H7	0.000	-2.155	0.527
H8	-0.892	1.293	1.803
H9	0.892	1.293	1.803
H10	0.892	-1.293	1.803
H11	-0.892	-1.293	1.803

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.7993	1.7993	1.5204	1.5204	2.1634	2.1634	2.1508	2.1508	2.1508	2.1508
Cl2	1.7993		2.9246	2.7019	2.7019	2.8850	2.8850	3.6815	2.8867	2.8867	3.6815
Cl3	1.7993	2.9246		2.7019	2.7019	2.8850	2.8850	2.8867	3.6815	3.6815	2.8867
C4	1.5204	2.7019	2.7019		2.5410	1.0926	3.4849	1.0948	1.0948	2.7875	2.7875
C5	1.5204	2.7019	2.7019	2.5410		3.4849	1.0926	2.7875	2.7875	1.0948	1.0948
H6	2.1634	2.8850	2.8850	1.0926	3.4849		4.3095	1.7792	1.7792	3.7830	3.7830
H7	2.1634	2.8850	2.8850	3.4849	1.0926	4.3095		3.7830	3.7830	1.7792	1.7792
H8	2.1508	3.6815	2.8867	1.0948	2.7875	1.7792	3.7830		1.7850	3.1424	2.5863
H9	2.1508	2.8867	3.6815	1.0948	2.7875	1.7792	3.7830	1.7850		2.5863	3.1424
H10	2.1508	2.8867	3.6815	2.7875	1.0948	3.7830	1.7792	3.1424	2.5863		1.7850
H11	2.1508	3.6815	2.8867	2.7875	1.0948	3.7830	1.7792	2.5863	3.1424	1.7850

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.717	C1	C4	H8	109.583
C1	C4	H9	109.583	C1	C5	H7	110.717
C1	C5	H10	109.583	C1	C5	H11	109.583
Cl2	C1	Cl3	108.719	Cl2	C1	C4	108.665
Cl2	C1	C5	108.665	Cl3	C1	C4	108.665
Cl3	C1	C5	108.665	C4	C1	C5	113.371
H6	C4	H8	108.859	H6	C4	H9	108.859
H7	C5	H10	108.859	H7	C5	H11	108.859
H8	C4	H9	109.214	H10	C5	H11	109.214

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

using model chemistry: CCSD/6-311G*

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: CCSD/6-311G*

States and conformations

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