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	hartrees
Energy at 0K	-1038.273315
Energy at 298.15K
HF Energy	-1038.273315
Nuclear repulsion energy	294.545091

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	3154	3038	6.81	74.97	0.74	0.85
2	A₁	3055	2943	10.84	262.89	0.00	0.01
3	A₁	1482	1427	2.85	12.90	0.73	0.84
4	A₁	1418	1366	7.12	0.57	0.60	0.75
5	A₁	1177	1133	44.64	2.06	0.29	0.45
6	A₁	927	893	9.58	5.61	0.75	0.86
7	A₁	563	543	18.33	13.13	0.04	0.08
8	A₁	366	352	1.38	2.78	0.48	0.64
9	A₁	258	249	0.82	4.82	0.62	0.77
10	A₂	3129	3013	0.00	15.20	0.75	0.86
11	A₂	1469	1415	0.00	16.43	0.75	0.86
12	A₂	1021	983	0.00	1.26	0.75	0.86
13	A₂	285	275	0.00	1.67	0.75	0.86
14	A₂	274	264	0.00	0.04	0.75	0.86
15	B₁	3134	3019	18.39	138.54	0.75	0.86
16	B₁	1491	1436	6.26	0.06	0.75	0.86
17	B₁	1131	1090	98.12	3.87	0.75	0.86
18	B₁	645	621	112.81	13.34	0.75	0.86
19	B₁	362	348	4.55	2.10	0.75	0.86
20	B₁	307	296	0.01	0.01	0.75	0.86
21	B₂	3152	3036	4.43	40.42	0.75	0.86
22	B₂	3051	2938	3.48	2.56	0.75	0.86
23	B₂	1465	1411	4.10	0.01	0.75	0.86
24	B₂	1401	1349	18.25	1.96	0.75	0.86
25	B₂	1218	1173	8.85	0.30	0.75	0.86
26	B₂	950	915	0.07	1.08	0.75	0.86
27	B₂	388	374	3.12	0.92	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.346
Cl2	1.468	0.000	-0.719
Cl3	-1.468	0.000	-0.719
C4	0.000	1.269	1.172
C5	0.000	-1.269	1.172
H6	0.000	2.151	0.531
H7	0.000	-2.151	0.531
H8	-0.890	1.292	1.806
H9	0.890	1.292	1.806
H10	0.890	-1.292	1.806
H11	-0.890	-1.292	1.806

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8134	1.8134	1.5143	1.5143	2.1590	2.1590	2.1430	2.1430	2.1430	2.1430
Cl2	1.8134		2.9356	2.7093	2.7093	2.8885	2.8885	3.6881	2.8945	2.8945	3.6881
Cl3	1.8134	2.9356		2.7093	2.7093	2.8885	2.8885	2.8945	3.6881	3.6881	2.8945
C4	1.5143	2.7093	2.7093		2.5387	1.0900	3.4799	1.0928	1.0928	2.7849	2.7849
C5	1.5143	2.7093	2.7093	2.5387		3.4799	1.0900	2.7849	2.7849	1.0928	1.0928
H6	2.1590	2.8885	2.8885	1.0900	3.4799		4.3022	1.7760	1.7760	3.7781	3.7781
H7	2.1590	2.8885	2.8885	3.4799	1.0900	4.3022		3.7781	3.7781	1.7760	1.7760
H8	2.1430	3.6881	2.8945	1.0928	2.7849	1.7760	3.7781		1.7796	3.1381	2.5847
H9	2.1430	2.8945	3.6881	1.0928	2.7849	1.7760	3.7781	1.7796		2.5847	3.1381
H10	2.1430	2.8945	3.6881	2.7849	1.0928	3.7781	1.7760	3.1381	2.5847		1.7796
H11	2.1430	3.6881	2.8945	2.7849	1.0928	3.7781	1.7760	2.5847	3.1381	1.7796

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.945	C1	C4	H8	109.512
C1	C4	H9	109.512	C1	C5	H7	110.945
C1	C5	H10	109.512	C1	C5	H11	109.512
Cl2	C1	Cl3	108.078	Cl2	C1	C4	108.676
Cl2	C1	C5	108.676	Cl3	C1	C4	108.676
Cl3	C1	C5	108.676	C4	C1	C5	113.909
H6	C4	H8	108.907	H6	C4	H9	108.907
H7	C5	H10	108.907	H7	C5	H11	108.907
H8	C4	H9	109.026	H10	C5	H11	109.026

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

using model chemistry: B3PW91/6-311G**

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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Number	Element	Mulliken
1	C	-0.430
2	Cl	-0.019
3	Cl	-0.019
4	C	-0.233
5	C	-0.233
6	H	0.169
7	H	0.169
8	H	0.149
9	H	0.149
10	H	0.149
11	H	0.149

<r²>	188.237
(<r²>)^1/2	13.720

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

using model chemistry: B3PW91/6-311G**

States and conformations

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