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	hartrees
Energy at 0K	-1195.618912
Energy at 298.15K	-1195.622507
HF Energy	-1194.726052
Nuclear repulsion energy	378.734190

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3187	3016	10.71
2	A'	3176	3006	11.02
3	A'	1479	1400	43.97
4	A'	1301	1231	0.88
5	A'	1189	1126	101.77
6	A'	1122	1062	34.28
7	A'	833	788	31.48
8	A'	579	548	7.82
9	A'	410	388	18.10
10	A'	357	338	11.43
11	A'	261	248	0.27
12	A"	1438	1361	20.28
13	A"	1319	1249	20.90
14	A"	1206	1142	129.61
15	A"	882	835	107.02
16	A"	411	389	0.77
17	A"	189	178	1.45
18	A"	85	80	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.401	-0.228	0.000
C2	-0.361	1.093	0.000
H3	1.479	-0.054	0.000
H4	-1.439	0.920	0.000
Cl5	-0.005	-1.137	1.466
Cl6	-0.005	-1.137	-1.466
F7	-0.005	1.810	1.097
F8	-0.005	1.810	-1.097

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5253	1.0921	2.1689	1.7721	1.7721	2.3498	2.3498
C2	1.5253		2.1689	1.0921	2.6924	2.6924	1.3577	1.3577
H3	1.0921	2.1689		3.0769	2.3507	2.3507	2.6236	2.6236
H4	2.1689	1.0921	3.0769		2.9042	2.9042	2.0131	2.0131
Cl5	1.7721	2.6924	2.3507	2.9042		2.9316	2.9702	3.9054
Cl6	1.7721	2.6924	2.3507	2.9042	2.9316		3.9054	2.9702
F7	2.3498	1.3577	2.6236	2.0131	2.9702	3.9054		2.1934
F8	2.3498	1.3577	2.6236	2.0131	3.9054	2.9702	2.1934

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.833	C1	C2	F7	109.050
C1	C2	F8	109.050	C2	C1	H3	110.833
C2	C1	Cl5	109.248	C2	C1	Cl6	109.248
H3	C1	Cl5	107.946	H3	C1	Cl6	107.946
H4	C2	F7	110.044	H4	C2	F8	110.044
Cl5	C1	Cl6	111.617	F7	C2	F8	107.756

All results from a given calculation for CHCl₂CHF₂ (1,1-dichloro-2,2-difluoroethane)

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 CHCl2CHF2 (1,1-dichloro-2,2-difluoroethane)

using model chemistry: CCD/6-31G*

States and conformations

All results from a given calculation for CHCl₂CHF₂ (1,1-dichloro-2,2-difluoroethane)