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	hartrees
Energy at 0K	-1197.246496
Energy at 298.15K	-1197.249994
HF Energy	-1196.819096
Nuclear repulsion energy	378.745367

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3159	3020	11.83
2	A'	3145	3006	5.43
3	A'	1424	1361	32.13
4	A'	1268	1212	1.31
5	A'	1142	1092	116.70
6	A'	1081	1033	29.89
7	A'	798	763	30.68
8	A'	577	551	7.09
9	A'	400	382	15.03
10	A'	342	327	9.09
11	A'	249	238	0.23
12	A"	1380	1319	7.07
13	A"	1246	1191	15.10
14	A"	1126	1076	160.49
15	A"	813	777	126.52
16	A"	397	380	1.75
17	A"	182	173	1.05
18	A"	77	74	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.405	-0.225	0.000
C2	-0.358	1.093	0.000
H3	1.477	-0.059	0.000
H4	-1.430	0.928	0.000
Cl5	-0.006	-1.138	1.467
Cl6	-0.006	-1.138	-1.467
F7	-0.006	1.813	1.091
F8	-0.006	1.813	-1.091

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5232	1.0842	2.1670	1.7768	1.7768	2.3477	2.3477
C2	1.5232		2.1670	1.0842	2.6939	2.6939	1.3536	1.3536
H3	1.0842	2.1670		3.0696	2.3489	2.3489	2.6260	2.6260
H4	2.1670	1.0842	3.0696		2.9065	2.9065	1.9998	1.9998
Cl5	1.7768	2.6939	2.3489	2.9065		2.9344	2.9749	3.9058
Cl6	1.7768	2.6939	2.3489	2.9065	2.9344		3.9058	2.9749
F7	2.3477	1.3536	2.6260	1.9998	2.9749	3.9058		2.1828
F8	2.3477	1.3536	2.6260	1.9998	3.9058	2.9749	2.1828

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.303	C1	C2	F7	109.252
C1	C2	F8	109.252	C2	C1	H3	111.303
C2	C1	Cl5	109.197	C2	C1	Cl6	109.197
H3	C1	Cl5	107.907	H3	C1	Cl6	107.907
H4	C2	F7	109.739	H4	C2	F8	109.739
Cl5	C1	Cl6	111.331	F7	C2	F8	107.474

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

using model chemistry: B2PLYP=FULL/cc-pVTZ

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: B2PLYP=FULL/cc-pVTZ

States and conformations

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