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	hartrees
Energy at 0K	-1036.824454
Energy at 298.15K
HF Energy	-1036.072989
Nuclear repulsion energy	295.739392

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3242	3040	10.03
2	A₁	3136	2940	11.54
3	A₁	1552	1455	1.92
4	A₁	1487	1394	3.88
5	A₁	1239	1161	27.14
6	A₁	975	914	7.15
7	A₁	594	556	13.19
8	A₁	379	355	0.29
9	A₁	270	253	1.15
10	A₂	3221	3020	0.00
11	A₂	1541	1445	0.00
12	A₂	1066	999	0.00
13	A₂	296	278	0.00
14	A₂	284	267	0.00
15	B₁	3226	3025	22.38
16	B₁	1561	1463	5.75
17	B₁	1198	1124	73.64
18	B₁	736	690	73.76
19	B₁	374	351	1.27
20	B₁	322	301	0.02
21	B₂	3241	3038	6.19
22	B₂	3132	2936	5.82
23	B₂	1539	1443	3.55
24	B₂	1469	1378	9.35
25	B₂	1266	1187	4.90
26	B₂	991	929	0.06
27	B₂	402	377	3.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.331
Cl2	1.460	0.000	-0.715
Cl3	-1.460	0.000	-0.715
C4	0.000	1.266	1.171
C5	0.000	-1.266	1.171
H6	0.000	2.149	0.537
H7	0.000	-2.149	0.537
H8	-0.888	1.282	1.802
H9	0.888	1.282	1.802
H10	0.888	-1.282	1.802
H11	-0.888	-1.282	1.802

	C1	Cl2	Cl3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.7964	1.7964	1.5200	1.5200	2.1584	2.1584	2.1438	2.1438	2.1438	2.1438
Cl2	1.7964		2.9209	2.7011	2.7011	2.8839	2.8839	3.6734	2.8825	2.8825	3.6734
Cl3	1.7964	2.9209		2.7011	2.7011	2.8839	2.8839	2.8825	3.6734	3.6734	2.8825
C4	1.5200	2.7011	2.7011		2.5325	1.0869	3.4733	1.0891	1.0891	2.7708	2.7708
C5	1.5200	2.7011	2.7011	2.5325		3.4733	1.0869	2.7708	2.7708	1.0891	1.0891
H6	2.1584	2.8839	2.8839	1.0869	3.4733		4.2972	1.7723	1.7723	3.7624	3.7624
H7	2.1584	2.8839	2.8839	3.4733	1.0869	4.2972		3.7624	3.7624	1.7723	1.7723
H8	2.1438	3.6734	2.8825	1.0891	2.7708	1.7723	3.7624		1.7752	3.1178	2.5631
H9	2.1438	2.8825	3.6734	1.0891	2.7708	1.7723	3.7624	1.7752		2.5631	3.1178
H10	2.1438	2.8825	3.6734	2.7708	1.0891	3.7624	1.7723	3.1178	2.5631		1.7752
H11	2.1438	3.6734	2.8825	2.7708	1.0891	3.7624	1.7723	2.5631	3.1178	1.7752

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H6	110.687	C1	C4	H8	109.398
C1	C4	H9	109.398	C1	C5	H7	110.687
C1	C5	H10	109.398	C1	C5	H11	109.398
Cl2	C1	Cl3	108.778	Cl2	C1	C4	108.789
Cl2	C1	C5	108.789	Cl3	C1	C4	108.789
Cl3	C1	C5	108.789	C4	C1	C5	112.833
H6	C4	H8	109.078	H6	C4	H9	109.078
H7	C5	H10	109.078	H7	C5	H11	109.078
H8	C4	H9	109.177	H10	C5	H11	109.177

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

using model chemistry: CCD/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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All results from a given calculation for CH3CCl2CH3 (Propane, 2,2-dichloro-)

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

States and conformations

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