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	hartrees
Energy at 0K	-1038.225932
Energy at 298.15K
HF Energy	-1038.225932
Nuclear repulsion energy	289.333674

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	3086	3063	7.82	78.80	0.71	0.83
2	A₁	2989	2966	12.95	240.46	0.01	0.02
3	A₁	1464	1453	1.19	25.68	0.75	0.85
4	A₁	1394	1383	2.69	5.58	0.22	0.36
5	A₁	1147	1138	40.07	1.32	0.01	0.01
6	A₁	875	868	14.64	7.32	0.73	0.84
7	A₁	522	518	21.37	16.07	0.04	0.08
8	A₁	350	347	2.05	3.63	0.27	0.43
9	A₁	240	238	1.07	5.07	0.62	0.76
10	A₂	3054	3030	0.00	15.63	0.75	0.86
11	A₂	1455	1444	0.00	28.21	0.75	0.86
12	A₂	1000	993	0.00	2.92	0.75	0.86
13	A₂	273	271	0.00	1.45	0.75	0.86
14	A₂	262	260	0.00	0.12	0.75	0.86
15	B₁	3060	3036	22.97	139.46	0.75	0.86
16	B₁	1476	1465	4.58	0.10	0.75	0.86
17	B₁	1105	1097	85.62	0.49	0.75	0.86
18	B₁	572	567	118.92	12.52	0.75	0.86
19	B₁	346	343	8.51	2.67	0.75	0.86
20	B₁	293	291	0.00	0.00	0.75	0.86
21	B₂	3086	3062	6.14	39.12	0.75	0.86
22	B₂	2984	2961	3.98	3.85	0.75	0.86
23	B₂	1449	1438	3.62	0.09	0.75	0.86
24	B₂	1378	1367	8.69	8.10	0.75	0.86
25	B₂	1172	1163	13.51	0.11	0.75	0.86
26	B₂	923	915	0.12	1.38	0.75	0.86
27	B₂	375	372	4.18	1.74	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.360
Cl2	1.503	0.000	-0.730
Cl3	-1.503	0.000	-0.730
C4	0.000	1.287	1.189
C5	0.000	-1.287	1.189
H6	0.000	2.174	0.543
H7	0.000	-2.174	0.543
H8	-0.896	1.311	1.828
H9	0.896	1.311	1.828
H10	0.896	-1.311	1.828
H11	-0.896	-1.311	1.828

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.8569	1.8569	1.5312	1.5312	2.1816	2.1816	2.1625	2.1625	2.1625	2.1625
Cl2	1.8569		3.0054	2.7571	2.7571	2.9336	2.9336	3.7444	2.9385	2.9385	3.7444
Cl3	1.8569	3.0054		2.7571	2.7571	2.9336	2.9336	2.9385	3.7444	3.7444	2.9385
C4	1.5312	2.7571	2.7571		2.5746	1.0974	3.5212	1.1007	1.1007	2.8218	2.8218
C5	1.5312	2.7571	2.7571	2.5746		3.5212	1.0974	2.8218	2.8218	1.1007	1.1007
H6	2.1816	2.9336	2.9336	1.0974	3.5212		4.3480	1.7889	1.7889	3.8211	3.8211
H7	2.1816	2.9336	2.9336	3.5212	1.0974	4.3480		3.8211	3.8211	1.7889	1.7889
H8	2.1625	3.7444	2.9385	1.1007	2.8218	1.7889	3.8211		1.7920	3.1759	2.6221
H9	2.1625	2.9385	3.7444	1.1007	2.8218	1.7889	3.8211	1.7920		2.6221	3.1759
H10	2.1625	2.9385	3.7444	2.8218	1.1007	3.8211	1.7889	3.1759	2.6221		1.7920
H11	2.1625	3.7444	2.9385	2.8218	1.1007	3.8211	1.7889	2.6221	3.1759	1.7920

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	111.118	C1	C4	H8	109.416
C1	C4	H9	109.416	C1	C5	H7	111.118
C1	C5	H10	109.416	C1	C5	H11	109.416
Cl2	C1	Cl3	108.046	Cl2	C1	C4	108.547
Cl2	C1	C5	108.547	Cl3	C1	C4	108.547
Cl3	C1	C5	108.547	C4	C1	C5	114.436
H6	C4	H8	108.941	H6	C4	H9	108.941
H7	C5	H10	108.941	H7	C5	H11	108.941
H8	C4	H9	108.975	H10	C5	H11	108.975

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

using model chemistry: BLYP/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	-0.158
2	Cl	-0.049
3	Cl	-0.049
4	C	-0.249
5	C	-0.249
6	H	0.135
7	H	0.135
8	H	0.121
9	H	0.121
10	H	0.121
11	H	0.121

<r²>	193.920
(<r²>)^1/2	13.926

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

using model chemistry: BLYP/6-31G**

States and conformations

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