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	hartrees
Energy at 0K	-1194.755525
Energy at 298.15K	-1194.759292
HF Energy	-1194.755525
Nuclear repulsion energy	381.698579

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3309	2997	13.44
2	A'	3296	2985	11.33
3	A'	1564	1416	52.59
4	A'	1374	1244	4.85
5	A'	1250	1132	142.99
6	A'	1168	1058	20.14
7	A'	861	779	39.07
8	A'	630	571	10.53
9	A'	430	389	17.18
10	A'	369	334	10.49
11	A'	268	243	0.28
12	A"	1526	1382	16.98
13	A"	1356	1228	23.55
14	A"	1285	1164	158.71
15	A"	903	817	144.13
16	A"	432	391	1.69
17	A"	195	177	1.19
18	A"	86	78	0.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.399	-0.222	0.000
C2	-0.356	1.103	0.000
H3	1.465	-0.058	0.000
H4	-1.422	0.939	0.000
Cl5	-0.006	-1.135	1.458
Cl6	-0.006	-1.135	-1.458
F7	-0.006	1.802	1.069
F8	-0.006	1.802	-1.069

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5256	1.0785	2.1599	1.7675	1.7675	2.3247	2.3247
C2	1.5256		2.1599	1.0785	2.6943	2.6943	1.3243	1.3243
H3	1.0785	2.1599		3.0543	2.3348	2.3348	2.6010	2.6010
H4	2.1599	1.0785	3.0543		2.9039	2.9039	1.9732	1.9732
Cl5	1.7675	2.6943	2.3348	2.9039		2.9160	2.9629	3.8747
Cl6	1.7675	2.6943	2.3348	2.9039	2.9160		3.8747	2.9629
F7	2.3247	1.3243	2.6010	1.9732	2.9629	3.8747		2.1381
F8	2.3247	1.3243	2.6010	1.9732	3.8747	2.9629	2.1381

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.912	C1	C2	F7	109.113
C1	C2	F8	109.113	C2	C1	H3	110.912
C2	C1	Cl5	109.590	C2	C1	Cl6	109.590
H3	C1	Cl5	107.784	H3	C1	Cl6	107.784
H4	C2	F7	109.989	H4	C2	F8	109.989
Cl5	C1	Cl6	111.159	F7	C2	F8	107.656

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

using model chemistry: HF/6-31G(2df,p)

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	-0.139
2	C	0.416
3	H	0.229
4	H	0.141
5	Cl	-0.097
6	Cl	-0.097
7	F	-0.227
8	F	-0.227

	x	y	z
x	5.218	0.117	0.000
y	0.117	6.437	0.000
z	0.000	0.000	7.898

<r²>	239.460
(<r²>)^1/2	15.474

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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