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	hartrees
Energy at 0K	-1037.863480
Energy at 298.15K
HF Energy	-1037.634988
Nuclear repulsion energy	294.233022

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	3201	3037	7.40	72.80	0.73	0.85
2	A₁	3102	2943	10.83	204.13	0.01	0.01
3	A₁	1537	1459	2.34	25.90	0.75	0.86
4	A₁	1469	1394	5.05	3.12	0.32	0.49
5	A₁	1215	1153	34.93	1.11	0.13	0.23
6	A₁	944	896	10.11	8.05	0.75	0.86
7	A₁	569	540	17.77	14.34	0.04	0.08
8	A₁	371	352	0.85	2.48	0.33	0.50
9	A₁	260	247	1.22	4.08	0.65	0.78
10	A₂	3176	3013	0.00	10.60	0.75	0.86
11	A₂	1527	1449	0.00	26.94	0.75	0.86
12	A₂	1055	1001	0.00	3.52	0.75	0.86
13	A₂	290	275	0.00	1.08	0.75	0.86
14	A₂	279	265	0.00	0.18	0.75	0.86
15	B₁	3182	3019	19.18	124.59	0.75	0.86
16	B₁	1547	1468	7.00	0.02	0.75	0.86
17	B₁	1173	1113	86.57	0.69	0.75	0.86
18	B₁	671	636	102.84	14.27	0.75	0.86
19	B₁	367	348	3.19	1.60	0.75	0.86
20	B₁	313	297	0.01	0.00	0.75	0.86
21	B₂	3200	3036	5.00	36.72	0.75	0.86
22	B₂	3097	2939	4.12	0.51	0.75	0.86
23	B₂	1523	1445	4.44	0.06	0.75	0.86
24	B₂	1452	1377	12.52	5.52	0.75	0.86
25	B₂	1243	1179	7.54	0.11	0.75	0.86
26	B₂	977	926	0.04	2.24	0.75	0.86
27	B₂	395	375	3.73	1.44	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.341
Cl2	1.470	0.000	-0.719
Cl3	-1.470	0.000	-0.719
C4	0.000	1.271	1.174
C5	0.000	-1.271	1.174
H6	0.000	2.154	0.535
H7	0.000	-2.154	0.535
H8	-0.890	1.290	1.807
H9	0.890	1.290	1.807
H10	0.890	-1.290	1.807
H11	-0.890	-1.290	1.807

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8127	1.8127	1.5193	1.5193	2.1627	2.1627	2.1461	2.1461	2.1461	2.1461
Cl2	1.8127		2.9407	2.7130	2.7130	2.8939	2.8939	3.6902	2.8954	2.8954	3.6902
Cl3	1.8127	2.9407		2.7130	2.7130	2.8939	2.8939	2.8954	3.6902	3.6902	2.8954
C4	1.5193	2.7130	2.7130		2.5415	1.0900	3.4838	1.0924	1.0924	2.7840	2.7840
C5	1.5193	2.7130	2.7130	2.5415		3.4838	1.0900	2.7840	2.7840	1.0924	1.0924
H6	2.1627	2.8939	2.8939	1.0900	3.4838		4.3079	1.7767	1.7767	3.7778	3.7778
H7	2.1627	2.8939	2.8939	3.4838	1.0900	4.3079		3.7778	3.7778	1.7767	1.7767
H8	2.1461	3.6902	2.8954	1.0924	2.7840	1.7767	3.7778		1.7799	3.1346	2.5802
H9	2.1461	2.8954	3.6902	1.0924	2.7840	1.7767	3.7778	1.7799		2.5802	3.1346
H10	2.1461	2.8954	3.6902	2.7840	1.0924	3.7778	1.7767	3.1346	2.5802		1.7799
H11	2.1461	3.6902	2.8954	2.7840	1.0924	3.7778	1.7767	2.5802	3.1346	1.7799

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.880	C1	C4	H8	109.424
C1	C4	H9	109.424	C1	C5	H7	110.880
C1	C5	H10	109.424	C1	C5	H11	109.424
Cl2	C1	Cl3	108.411	Cl2	C1	C4	108.699
Cl2	C1	C5	108.699	Cl3	C1	C4	108.699
Cl3	C1	C5	108.699	C4	C1	C5	113.520
H6	C4	H8	108.989	H6	C4	H9	108.989
H7	C5	H10	108.989	H7	C5	H11	108.989
H8	C4	H9	109.107	H10	C5	H11	109.107

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

using model chemistry: B2PLYP=FULLultrafine/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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Number	Element	Mulliken
1	C	-0.172
2	Cl	-0.031
3	Cl	-0.031
4	C	-0.439
5	C	-0.439
6	H	0.195
7	H	0.195
8	H	0.180
9	H	0.180
10	H	0.180
11	H	0.180

<r²>	188.452
(<r²>)^1/2	13.728

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

using model chemistry: B2PLYP=FULLultrafine/6-31G*

States and conformations

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