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	hartrees
Energy at 0K	-1026.900934
Energy at 298.15K
HF Energy	-1026.900934
Nuclear repulsion energy	286.688553

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	3498	3122	1.50	38.83	0.75	0.86
2	A₁	3317	2960	0.18	95.31	0.00	0.01
3	A₁	1649	1472	1.52	26.61	0.75	0.86
4	A₁	1555	1387	0.66	4.43	0.26	0.42
5	A₁	1278	1141	52.62	1.59	0.10	0.18
6	A₁	980	874	7.44	9.52	0.73	0.84
7	A₁	591	527	13.78	13.92	0.03	0.05
8	A₁	355	317	0.10	1.75	0.44	0.61
9	A₁	241	216	3.58	3.39	0.72	0.84
10	A₂	3483	3108	0.00	4.98	0.75	0.86
11	A₂	1645	1468	0.00	27.20	0.75	0.86
12	A₂	1098	980	0.00	4.09	0.75	0.86
13	A₂	267	238	0.00	1.54	0.75	0.86
14	A₂	228	203	0.00	0.01	0.75	0.86
15	B₁	3485	3110	1.58	63.33	0.75	0.86
16	B₁	1656	1478	5.80	0.32	0.75	0.86
17	B₁	1247	1113	105.52	0.00	0.75	0.86
18	B₁	768	685	57.92	10.82	0.75	0.86
19	B₁	347	309	0.87	1.32	0.75	0.86
20	B₁	250	223	0.01	0.01	0.75	0.86
21	B₂	3497	3121	0.49	19.12	0.75	0.86
22	B₂	3316	2959	1.18	0.00	0.75	0.86
23	B₂	1641	1464	2.63	0.16	0.75	0.86
24	B₂	1540	1374	3.25	7.44	0.75	0.86
25	B₂	1289	1150	24.56	0.01	0.75	0.86
26	B₂	1023	913	0.18	2.15	0.75	0.86
27	B₂	370	330	6.78	2.41	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.351
Cl2	1.517	0.000	-0.736
Cl3	-1.517	0.000	-0.736
C4	0.000	1.306	1.204
C5	0.000	-1.306	1.204
H6	0.000	2.190	0.549
H7	0.000	-2.190	0.549
H8	-0.899	1.324	1.841
H9	0.899	1.324	1.841
H10	0.899	-1.324	1.841
H11	-0.899	-1.324	1.841

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8664	1.8664	1.5596	1.5596	2.1988	2.1988	2.1861	2.1861	2.1861	2.1861
Cl2	1.8664		3.0340	2.7873	2.7873	2.9576	2.9576	3.7720	2.9621	2.9621	3.7720
Cl3	1.8664	3.0340		2.7873	2.7873	2.9576	2.9576	2.9621	3.7720	3.7720	2.9621
C4	1.5596	2.7873	2.7873		2.6121	1.1002	3.5568	1.1017	1.1017	2.8516	2.8516
C5	1.5596	2.7873	2.7873	2.6121		3.5568	1.1002	2.8516	2.8516	1.1017	1.1017
H6	2.1988	2.9576	2.9576	1.1002	3.5568		4.3799	1.7962	1.7962	3.8505	3.8505
H7	2.1988	2.9576	2.9576	3.5568	1.1002	4.3799		3.8505	3.8505	1.7962	1.7962
H8	2.1861	3.7720	2.9621	1.1017	2.8516	1.7962	3.8505		1.7975	3.2008	2.6484
H9	2.1861	2.9621	3.7720	1.1017	2.8516	1.7962	3.8505	1.7975		2.6484	3.2008
H10	2.1861	2.9621	3.7720	2.8516	1.1017	3.8505	1.7962	3.2008	2.6484		1.7975
H11	2.1861	3.7720	2.9621	2.8516	1.1017	3.8505	1.7962	2.6484	3.2008	1.7975

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.329	C1	C4	H8	109.255
C1	C4	H9	109.255	C1	C5	H7	110.329
C1	C5	H10	109.255	C1	C5	H11	109.255
Cl2	C1	Cl3	108.742	Cl2	C1	C4	108.565
Cl2	C1	C5	108.565	Cl3	C1	C4	108.565
Cl3	C1	C5	108.565	C4	C1	C5	113.740
H6	C4	H8	109.326	H6	C4	H9	109.326
H7	C5	H10	109.326	H7	C5	H11	109.326
H8	C4	H9	109.332	H10	C5	H11	109.332

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

using model chemistry: B3LYP/STO-3G

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	0.099
2	Cl	-0.139
3	Cl	-0.139
4	C	-0.212
5	C	-0.212
6	H	0.105
7	H	0.105
8	H	0.098
9	H	0.098
10	H	0.098
11	H	0.098

<r²>	195.603
(<r²>)^1/2	13.986

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

using model chemistry: B3LYP/STO-3G

States and conformations

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