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	hartrees
Energy at 0K	-1197.406019
Energy at 298.15K	-1197.409488
HF Energy	-1197.406019
Nuclear repulsion energy	378.000241

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3139	3024	14.02
2	A'	3127	3012	6.09
3	A'	1412	1360	36.28
4	A'	1255	1209	0.64
5	A'	1133	1091	143.84
6	A'	1074	1034	25.61
7	A'	796	767	34.85
8	A'	575	553	8.09
9	A'	397	382	15.09
10	A'	343	330	11.04
11	A'	253	243	0.39
12	A"	1374	1323	10.48
13	A"	1254	1208	17.44
14	A"	1129	1087	166.18
15	A"	806	776	158.25
16	A"	393	378	2.53
17	A"	180	173	1.36
18	A"	71	69	0.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.399	-0.226	0.000
C2	-0.360	1.101	0.000
H3	1.477	-0.064	0.000
H4	-1.438	0.939	0.000
Cl5	-0.005	-1.142	1.470
Cl6	-0.005	-1.142	-1.470
F7	-0.005	1.817	1.092
F8	-0.005	1.817	-1.092

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5294	1.0903	2.1755	1.7782	1.7782	2.3518	2.3518
C2	1.5294		2.1755	1.0903	2.7055	2.7055	1.3533	1.3533
H3	1.0903	2.1755		3.0829	2.3495	2.3495	2.6317	2.6317
H4	2.1755	1.0903	3.0829		2.9230	2.9230	2.0047	2.0047
Cl5	1.7782	2.7055	2.3495	2.9230		2.9395	2.9829	3.9141
Cl6	1.7782	2.7055	2.3495	2.9230	2.9395		3.9141	2.9829
F7	2.3518	1.3533	2.6317	2.0047	2.9829	3.9141		2.1848
F8	2.3518	1.3533	2.6317	2.0047	3.9141	2.9829	2.1848

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.178	C1	C2	F7	109.188
C1	C2	F8	109.188	C2	C1	H3	111.178
C2	C1	Cl5	109.532	C2	C1	Cl6	109.532
H3	C1	Cl5	107.548	H3	C1	Cl6	107.548
H4	C2	F7	109.779	H4	C2	F8	109.779
Cl5	C1	Cl6	111.485	F7	C2	F8	107.655

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

using model chemistry: B3PW91/6-311G**

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	-0.423
2	C	0.436
3	H	0.253
4	H	0.142
5	Cl	0.009
6	Cl	0.009
7	F	-0.213
8	F	-0.213

	x	y	z	Total
	-0.077	-0.093	0.000	0.121
CHELPG
AIM
ESP

	x	y	z
x	4.603	0.129	0.000
y	0.129	6.144	0.000
z	0.000	0.000	8.169

<r²>	243.383
(<r²>)^1/2	15.601

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

using model chemistry: B3PW91/6-311G**

States and conformations

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