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	hartrees
Energy at 0K	-1197.293515
Energy at 298.15K	-1197.296595
HF Energy	-1197.293515
Nuclear repulsion energy	363.277968

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3124	3100	1.45
2	A'	3101	3078	14.75
3	A'	1360	1350	13.69
4	A'	1221	1211	4.00
5	A'	1067	1059	53.40
6	A'	990	983	62.60
7	A'	708	702	40.71
8	A'	496	493	10.20
9	A'	358	355	23.99
10	A'	315	313	8.55
11	A'	226	224	0.48
12	A"	1324	1314	4.03
13	A"	1193	1184	17.03
14	A"	1010	1002	111.95
15	A"	683	678	151.93
16	A"	350	347	6.85
17	A"	168	167	1.83
18	A"	69	68	0.91

Atom	x (Å)	y (Å)	z (Å)
C1	0.413	-0.193	0.000
C2	-0.379	1.118	0.000
H3	1.497	-0.042	0.000
H4	-1.463	0.967	0.000
Cl5	-0.005	-1.180	1.548
Cl6	-0.005	-1.180	-1.548
F7	-0.005	1.869	1.148
F8	-0.005	1.869	-1.148

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5313	1.0950	2.2058	1.8825	1.8825	2.3968	2.3968
C2	1.5313		2.2058	1.0950	2.7957	2.7957	1.4223	1.4223
H3	1.0950	2.2058		3.1280	2.4384	2.4384	2.6884	2.6884
H4	2.2058	1.0950	3.1280		3.0222	3.0222	2.0640	2.0640
Cl5	1.8825	2.7957	2.4384	3.0222		3.0952	3.0751	4.0701
Cl6	1.8825	2.7957	2.4384	3.0222	3.0952		4.0701	3.0751
F7	2.3968	1.4223	2.6884	2.0640	3.0751	4.0701		2.2969
F8	2.3968	1.4223	2.6884	2.0640	4.0701	3.0751	2.2969

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.210	C1	C2	F7	108.425
C1	C2	F8	108.425	C2	C1	H3	113.210
C2	C1	Cl5	109.529	C2	C1	Cl6	109.529
H3	C1	Cl5	106.965	H3	C1	Cl6	106.965
H4	C2	F7	109.467	H4	C2	F8	109.467
Cl5	C1	Cl6	110.596	F7	C2	F8	107.693

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

using model chemistry: BLYP/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	-0.476
2	C	0.447
3	H	0.254
4	H	0.174
5	Cl	0.058
6	Cl	0.058
7	F	-0.257
8	F	-0.257

	x	y	z	Total
	-0.033	-0.018	0.000	0.037
CHELPG
AIM
ESP

	x	y	z
x	3.969	0.272	0.000
y	0.272	5.982	0.000
z	0.000	0.000	8.600

<r²>	260.923
(<r²>)^1/2	16.153

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

using model chemistry: BLYP/6-31G

States and conformations

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