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	hartrees
Energy at 0K	-1197.326496
Energy at 298.15K	-1197.329808
HF Energy	-1197.326496
Nuclear repulsion energy	368.819711

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3245	3245	11.26
2	A'	3228	3228	1.33
3	A'	1420	1420	17.93
4	A'	1282	1282	1.33
5	A'	1143	1143	60.89
6	A'	1031	1031	64.44
7	A'	772	772	36.53
8	A'	527	527	9.66
9	A'	381	381	27.20
10	A'	338	338	12.51
11	A'	242	242	0.22
12	A"	1348	1348	3.26
13	A"	1255	1255	8.21
14	A"	1054	1054	144.45
15	A"	797	797	113.40
16	A"	381	381	1.34
17	A"	174	174	2.32
18	A"	67	67	1.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.420	-0.211	0.000
C2	-0.371	1.099	0.000
H3	1.497	-0.057	0.000
H4	-1.448	0.946	0.000
Cl5	-0.007	-1.167	1.509
Cl6	-0.007	-1.167	-1.509
F7	-0.007	1.858	1.126
F8	-0.007	1.858	-1.126

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5300	1.0885	2.1972	1.8370	1.8370	2.3940	2.3940
C2	1.5300		2.1972	1.0885	2.7471	2.7471	1.4063	1.4063
H3	1.0885	2.1972		3.1119	2.4025	2.4025	2.6832	2.6832
H4	2.1972	1.0885	3.1119		2.9698	2.9698	2.0447	2.0447
Cl5	1.8370	2.7471	2.4025	2.9698		3.0187	3.0494	4.0124
Cl6	1.8370	2.7471	2.4025	2.9698	3.0187		4.0124	3.0494
F7	2.3940	1.4063	2.6832	2.0447	3.0494	4.0124		2.2528
F8	2.3940	1.4063	2.6832	2.0447	4.0124	3.0494	2.2528

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.002	C1	C2	F7	109.163
C1	C2	F8	109.163	C2	C1	H3	113.002
C2	C1	Cl5	109.008	C2	C1	Cl6	109.008
H3	C1	Cl5	107.655	H3	C1	Cl6	107.655
H4	C2	F7	109.427	H4	C2	F8	109.427
Cl5	C1	Cl6	110.503	F7	C2	F8	106.446

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

using model chemistry: wB97X-D/SDD

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	-0.556
2	C	0.300
3	H	0.357
4	H	0.243
5	Cl	0.047
6	Cl	0.047
7	F	-0.219
8	F	-0.219

	x	y	z	Total
	-0.251	-0.599	0.000	0.649
CHELPG
AIM
ESP

	x	y	z
x	3.564	0.364	0.000
y	0.364	5.206	0.000
z	0.000	0.000	7.597

<r²>	254.362
(<r²>)^1/2	15.949

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

using model chemistry: wB97X-D/SDD

States and conformations

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