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	hartrees
Energy at 0K	-20178.198645
Energy at 298.15K	-20178.191398
HF Energy	-1038.350223
Nuclear repulsion energy	293.476949

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	3151	3041	6.82	68.67	0.72	0.84
2	A₁	3053	2946	11.20	212.45	0.01	0.01
3	A₁	1486	1434	1.97	20.87	0.75	0.86
4	A₁	1421	1371	3.27	3.19	0.26	0.41
5	A₁	1178	1136	35.41	1.17	0.08	0.15
6	A₁	914	882	11.73	6.60	0.75	0.86
7	A₁	554	535	17.61	16.22	0.03	0.06
8	A₁	360	347	1.12	2.34	0.25	0.40
9	A₁	250	241	1.14	3.29	0.63	0.78
10	A₂	3122	3013	0.00	12.42	0.75	0.86
11	A₂	1475	1423	0.00	21.59	0.75	0.86
12	A₂	1024	988	0.00	1.84	0.75	0.86
13	A₂	280	270	0.00	1.21	0.75	0.86
14	A₂	261	252	0.00	0.01	0.75	0.86
15	B₁	3128	3019	18.71	121.14	0.75	0.86
16	B₁	1497	1444	4.26	0.03	0.75	0.86
17	B₁	1133	1094	81.86	0.71	0.75	0.86
18	B₁	635	613	102.62	11.88	0.75	0.86
19	B₁	358	345	4.45	1.49	0.75	0.86
20	B₁	293	283	0.00	0.00	0.75	0.86
21	B₂	3150	3040	4.18	33.87	0.75	0.86
22	B₂	3048	2942	3.91	2.41	0.75	0.86
23	B₂	1471	1419	3.45	0.08	0.75	0.86
24	B₂	1404	1355	9.61	3.98	0.75	0.86
25	B₂	1207	1165	8.27	0.18	0.75	0.86
26	B₂	948	915	0.01	1.79	0.75	0.86
27	B₂	387	373	3.17	1.29	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.348
Cl2	1.473	0.000	-0.722
Cl3	-1.473	0.000	-0.722
C4	0.000	1.275	1.177
C5	0.000	-1.275	1.177
H6	0.000	2.157	0.536
H7	0.000	-2.157	0.536
H8	-0.891	1.297	1.812
H9	0.891	1.297	1.812
H10	0.891	-1.297	1.812
H11	-0.891	-1.297	1.812

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8205	1.8205	1.5210	1.5210	2.1652	2.1652	2.1488	2.1488	2.1488	2.1488
Cl2	1.8205		2.9453	2.7206	2.7206	2.8988	2.8988	3.6995	2.9052	2.9052	3.6995
Cl3	1.8205	2.9453		2.7206	2.7206	2.8988	2.8988	2.9052	3.6995	3.6995	2.9052
C4	1.5210	2.7206	2.7206		2.5504	1.0906	3.4918	1.0936	1.0936	2.7952	2.7952
C5	1.5210	2.7206	2.7206	2.5504		3.4918	1.0906	2.7952	2.7952	1.0936	1.0936
H6	2.1652	2.8988	2.8988	1.0906	3.4918		4.3142	1.7778	1.7778	3.7886	3.7886
H7	2.1652	2.8988	2.8988	3.4918	1.0906	4.3142		3.7886	3.7886	1.7778	1.7778
H8	2.1488	3.6995	2.9052	1.0936	2.7952	1.7778	3.7886		1.7813	3.1471	2.5945
H9	2.1488	2.9052	3.6995	1.0936	2.7952	1.7778	3.7886	1.7813		2.5945	3.1471
H10	2.1488	2.9052	3.6995	2.7952	1.0936	3.7886	1.7778	3.1471	2.5945		1.7813
H11	2.1488	3.6995	2.9052	2.7952	1.0936	3.7886	1.7778	2.5945	3.1471	1.7813

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.931	C1	C4	H8	109.446
C1	C4	H9	109.446	C1	C5	H7	110.931
C1	C5	H10	109.446	C1	C5	H11	109.446
Cl2	C1	Cl3	107.993	Cl2	C1	C4	108.689
Cl2	C1	C5	108.689	Cl3	C1	C4	108.689
Cl3	C1	C5	108.689	C4	C1	C5	113.937
H6	C4	H8	108.964	H6	C4	H9	108.964
H7	C5	H10	108.964	H7	C5	H11	108.964
H8	C4	H9	109.060	H10	C5	H11	109.060

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

using model chemistry: G4

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	0.193
2	Cl	-0.159
3	Cl	-0.159
4	C	-0.374
5	C	-0.374
6	H	0.155
7	H	0.155
8	H	0.141
9	H	0.141
10	H	0.141
11	H	0.141

<r²>	188.974
(<r²>)^1/2	13.747

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

using model chemistry: G4

States and conformations

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