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	hartrees
Energy at 0K	-90.638674
Energy at 298.15K	-90.641891
HF Energy	-90.638674
Nuclear repulsion energy	132.455543

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3156	3075	9.92
2	A'	3142	3062	1.83
3	A'	1387	1352	18.29
4	A'	1240	1209	2.57
5	A'	1106	1078	64.20
6	A'	1003	978	73.28
7	A'	740	721	39.75
8	A'	508	495	9.74
9	A'	368	359	27.52
10	A'	323	314	13.53
11	A'	232	226	0.38
12	A"	1332	1298	3.82
13	A"	1223	1192	13.73
14	A"	1018	992	139.18
15	A"	741	722	139.98
16	A"	364	354	2.74
17	A"	169	164	2.12
18	A"	65	63	1.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.421	-0.211	0.000
C2	-0.376	1.108	0.000
H3	1.502	-0.063	0.000
H4	-1.456	0.960	0.000
Cl5	-0.006	-1.178	1.535
Cl6	-0.006	-1.178	-1.535
F7	-0.006	1.876	1.137
F8	-0.006	1.876	-1.137

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5416	1.0906	2.2130	1.8642	1.8642	2.4152	2.4152
C2	1.5416		2.2130	1.0906	2.7788	2.7788	1.4212	1.4212
H3	1.0906	2.2130		3.1300	2.4239	2.4239	2.7069	2.7069
H4	2.2130	1.0906	3.1300		3.0053	3.0053	2.0581	2.0581
Cl5	1.8642	2.7788	2.4239	3.0053		3.0704	3.0803	4.0586
Cl6	1.8642	2.7788	2.4239	3.0053	3.0704		4.0586	3.0803
F7	2.4152	1.4212	2.7069	2.0581	3.0803	4.0586		2.2744
F8	2.4152	1.4212	2.7069	2.0581	4.0586	3.0803	2.2744

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.330	C1	C2	F7	109.145
C1	C2	F8	109.145	C2	C1	H3	113.330
C2	C1	Cl5	108.990	C2	C1	Cl6	108.990
H3	C1	Cl5	107.325	H3	C1	Cl6	107.325
H4	C2	F7	109.341	H4	C2	F8	109.341
Cl5	C1	Cl6	110.881	F7	C2	F8	106.299

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

using model chemistry: B3LYP/CEP-121G

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	-0.589
2	C	0.282
3	H	0.281
4	H	0.181
5	Cl	0.106
6	Cl	0.106
7	F	-0.184
8	F	-0.184

	x	y	z	Total
	-0.178	-0.679	0.000	0.702
CHELPG
AIM
ESP

	x	y	z
x	4.369	0.274	0.000
y	0.274	6.252	0.000
z	0.000	0.000	8.829

<r²>	161.851
(<r²>)^1/2	12.722

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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