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	hartrees
Energy at 0K	-1197.261636
Energy at 298.15K	-1197.265020
HF Energy	-1197.261636
Nuclear repulsion energy	370.295890

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3236	3236	0.84
2	A'	3212	3212	12.29
3	A'	1442	1442	21.35
4	A'	1293	1293	1.25
5	A'	1151	1151	69.23
6	A'	1061	1061	56.56
7	A'	780	780	39.56
8	A'	534	534	10.68
9	A'	387	387	26.54
10	A'	342	342	12.62
11	A'	245	245	0.41
12	A"	1382	1382	6.14
13	A"	1263	1263	13.98
14	A"	1114	1114	116.82
15	A"	801	801	129.90
16	A"	387	387	2.12
17	A"	177	177	2.29
18	A"	71	71	1.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.408	-0.201	0.000
C2	-0.370	1.103	0.000
H3	1.484	-0.044	0.000
H4	-1.446	0.946	0.000
Cl5	-0.005	-1.161	1.508
Cl6	-0.005	-1.161	-1.508
F7	-0.005	1.843	1.126
F8	-0.005	1.843	-1.126

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5190	1.0870	2.1803	1.8347	1.8347	2.3698	2.3698
C2	1.5190		2.1803	1.0870	2.7448	2.7448	1.3958	1.3958
H3	1.0870	2.1803		3.0924	2.3957	2.3957	2.6540	2.6540
H4	2.1803	1.0870	3.0924		2.9645	2.9645	2.0368	2.0368
Cl5	1.8347	2.7448	2.3957	2.9645		3.0155	3.0279	3.9950
Cl6	1.8347	2.7448	2.3957	2.9645	3.0155		3.9950	3.0279
F7	2.3698	1.3958	2.6540	2.0368	3.0279	3.9950		2.2522
F8	2.3698	1.3958	2.6540	2.0368	3.9950	3.0279	2.2522

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.516	C1	C2	F7	108.706
C1	C2	F8	108.706	C2	C1	H3	112.516
C2	C1	Cl5	109.498	C2	C1	Cl6	109.498
H3	C1	Cl5	107.383	H3	C1	Cl6	107.383
H4	C2	F7	109.610	H4	C2	F8	109.610
Cl5	C1	Cl6	110.532	F7	C2	F8	107.563

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

using model chemistry: wB97X-D/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	-0.604
2	C	0.503
3	H	0.305
4	H	0.217
5	Cl	0.092
6	Cl	0.092
7	F	-0.303
8	F	-0.303

	x	y	z	Total
	-0.093	-0.207	0.000	0.227
CHELPG
AIM
ESP

	x	y	z
x	3.796	0.304	0.000
y	0.304	5.393	0.000
z	0.000	0.000	7.791

<r²>	252.336
(<r²>)^1/2	15.885

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

using model chemistry: wB97X-D/6-31G

States and conformations

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