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	hartrees
Energy at 0K	-1036.383889
Energy at 298.15K
HF Energy	-1035.972280
Nuclear repulsion energy	286.021223

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3141	3014	7.80
2	A₁	3040	2917	13.21
3	A₁	1541	1479	3.00
4	A₁	1492	1432	5.92
5	A₁	1237	1187	34.07
6	A₁	937	900	7.64
7	A₁	531	510	16.29
8	A₁	364	349	1.15
9	A₁	243	233	1.36
10	A₂	3113	2987	0.00
11	A₂	1533	1471	0.00
12	A₂	1071	1027	0.00
13	A₂	280	269	0.00
14	A₂	263	253	0.00
15	B₁	3119	2993	19.76
16	B₁	1549	1486	12.11
17	B₁	1195	1147	81.17
18	B₁	635	609	74.81
19	B₁	357	343	1.76
20	B₁	292	280	0.03
21	B₂	3139	3012	7.42
22	B₂	3037	2914	4.20
23	B₂	1529	1467	6.72
24	B₂	1477	1417	17.54
25	B₂	1256	1205	9.78
26	B₂	999	959	0.14
27	B₂	377	362	4.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.383
Cl2	1.528	0.000	-0.742
Cl3	-1.528	0.000	-0.742
C4	0.000	1.288	1.205
C5	0.000	-1.288	1.205
H6	0.000	2.172	0.554
H7	0.000	-2.172	0.554
H8	-0.897	1.314	1.843
H9	0.897	1.314	1.843
H10	0.897	-1.314	1.843
H11	-0.897	-1.314	1.843

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8980	1.8980	1.5280	1.5280	2.1789	2.1789	2.1597	2.1597	2.1597	2.1597
Cl2	1.8980		3.0564	2.7906	2.7906	2.9552	2.9552	3.7809	2.9680	2.9680	3.7809
Cl3	1.8980	3.0564		2.7906	2.7906	2.9552	2.9552	2.9680	3.7809	3.7809	2.9680
C4	1.5280	2.7906	2.7906		2.5760	1.0983	3.5210	1.1013	1.1013	2.8258	2.8258
C5	1.5280	2.7906	2.7906	2.5760		3.5210	1.0983	2.8258	2.8258	1.1013	1.1013
H6	2.1789	2.9552	2.9552	1.0983	3.5210		4.3444	1.7898	1.7898	3.8242	3.8242
H7	2.1789	2.9552	2.9552	3.5210	1.0983	4.3444		3.8242	3.8242	1.7898	1.7898
H8	2.1597	3.7809	2.9680	1.1013	2.8258	1.7898	3.8242		1.7949	3.1833	2.6290
H9	2.1597	2.9680	3.7809	1.1013	2.8258	1.7898	3.8242	1.7949		2.6290	3.1833
H10	2.1597	2.9680	3.7809	2.8258	1.1013	3.8242	1.7898	3.1833	2.6290		1.7949
H11	2.1597	3.7809	2.9680	2.8258	1.1013	3.8242	1.7898	2.6290	3.1833	1.7949

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	111.066	C1	C4	H8	109.377
C1	C4	H9	109.377	C1	C5	H7	111.066
C1	C5	H10	109.377	C1	C5	H11	109.377
Cl2	C1	Cl3	107.258	Cl2	C1	C4	108.604
Cl2	C1	C5	108.604	Cl3	C1	C4	108.604
Cl3	C1	C5	108.604	C4	C1	C5	114.908
H6	C4	H8	108.916	H6	C4	H9	108.916
H7	C5	H10	108.916	H7	C5	H11	108.916
H8	C4	H9	109.159	H10	C5	H11	109.159

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

using model chemistry: CCD/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: CCD/6-31G

States and conformations

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