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	hartrees
Energy at 0K	-1030.602903
Energy at 298.15K
HF Energy	-1030.602903
Nuclear repulsion energy	295.166987

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3102	3046	1.08
2	A₁	2999	2945	2.80
3	A₁	1482	1456	5.85
4	A₁	1409	1384	23.69
5	A₁	1179	1158	47.50
6	A₁	927	910	8.10
7	A₁	558	548	18.41
8	A₁	366	360	1.16
9	A₁	252	248	1.53
10	A₂	3080	3025	0.00
11	A₂	1468	1442	0.00
12	A₂	1024	1006	0.00
13	A₂	293	288	0.00
14	A₂	277	272	0.00
15	B₁	3086	3030	5.02
16	B₁	1494	1467	15.97
17	B₁	1136	1116	103.88
18	B₁	630	618	101.97
19	B₁	362	356	2.81
20	B₁	315	309	0.01
21	B₂	3101	3045	0.86
22	B₂	2996	2942	0.24
23	B₂	1463	1437	9.49
24	B₂	1393	1368	50.11
25	B₂	1214	1192	15.87
26	B₂	957	940	0.54
27	B₂	384	377	3.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.340
Cl2	1.468	0.000	-0.715
Cl3	-1.468	0.000	-0.715
C4	0.000	1.259	1.168
C5	0.000	-1.259	1.168
H6	0.000	2.149	0.519
H7	0.000	-2.149	0.519
H8	-0.901	1.275	1.806
H9	0.901	1.275	1.806
H10	0.901	-1.275	1.806
H11	-0.901	-1.275	1.806

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8078	1.8078	1.5068	1.5068	2.1565	2.1565	2.1415	2.1415	2.1415	2.1415
Cl2	1.8078		2.9350	2.6993	2.6993	2.8801	2.8801	3.6869	2.8814	2.8814	3.6869
Cl3	1.8078	2.9350		2.6993	2.6993	2.8801	2.8801	2.8814	3.6869	3.6869	2.8814
C4	1.5068	2.6993	2.6993		2.5183	1.1018	3.4696	1.1042	1.1042	2.7645	2.7645
C5	1.5068	2.6993	2.6993	2.5183		3.4696	1.1018	2.7645	2.7645	1.1042	1.1042
H6	2.1565	2.8801	2.8801	1.1018	3.4696		4.2983	1.7980	1.7980	3.7677	3.7677
H7	2.1565	2.8801	2.8801	3.4696	1.1018	4.2983		3.7677	3.7677	1.7980	1.7980
H8	2.1415	3.6869	2.8814	1.1042	2.7645	1.7980	3.7677		1.8028	3.1234	2.5505
H9	2.1415	2.8814	3.6869	1.1042	2.7645	1.7980	3.7677	1.8028		2.5505	3.1234
H10	2.1415	2.8814	3.6869	2.7645	1.1042	3.7677	1.7980	3.1234	2.5505		1.8028
H11	2.1415	3.6869	2.8814	2.7645	1.1042	3.7677	1.7980	2.5505	3.1234	1.8028

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.562	C1	C4	H8	109.231
C1	C4	H9	109.231	C1	C5	H7	110.562
C1	C5	H10	109.231	C1	C5	H11	109.231
Cl2	C1	Cl3	108.537	Cl2	C1	C4	108.710
Cl2	C1	C5	108.710	Cl3	C1	C4	108.710
Cl3	C1	C5	108.710	C4	C1	C5	113.363
H6	C4	H8	109.181	H6	C4	H9	109.181
H7	C5	H10	109.181	H7	C5	H11	109.181
H8	C4	H9	109.438	H10	C5	H11	109.438

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

using model chemistry: LSDA/3-21G*

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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Number	Element	Mulliken
1	C	-0.362
2	Cl	0.025
3	Cl	0.025
4	C	-0.591
5	C	-0.591
6	H	0.258
7	H	0.258
8	H	0.244
9	H	0.244
10	H	0.244
11	H	0.244

<r²>	187.147
(<r²>)^1/2	13.680

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

using model chemistry: LSDA/3-21G*

States and conformations

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