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	hartrees
Energy at 0K	-1191.398083
Energy at 298.15K	-1191.401490
HF Energy	-1191.398083
Nuclear repulsion energy	372.238142

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3180	3049	0.45
2	A'	3164	3034	15.26
3	A'	1444	1384	29.38
4	A'	1270	1218	0.33
5	A'	1153	1106	94.95
6	A'	1088	1043	23.75
7	A'	758	727	35.56
8	A'	550	527	11.74
9	A'	378	362	19.26
10	A'	319	306	15.28
11	A'	229	220	0.26
12	A"	1454	1394	13.10
13	A"	1244	1192	7.38
14	A"	1220	1170	93.64
15	A"	799	766	120.51
16	A"	396	379	2.20
17	A"	171	164	1.96
18	A"	100	96	1.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.421	-0.194	0.000
C2	-0.371	1.100	0.000
H3	1.491	-0.006	0.000
H4	-1.441	0.912	0.000
Cl5	-0.007	-1.149	1.508
Cl6	-0.007	-1.149	-1.508
F7	-0.007	1.818	1.123
F8	-0.007	1.818	-1.123

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5177	1.0864	2.1659	1.8355	1.8355	2.3436	2.3436
C2	1.5177		2.1659	1.0864	2.7326	2.7326	1.3815	1.3815
H3	1.0864	2.1659		3.0723	2.4133	2.4133	2.6134	2.6134
H4	2.1659	1.0864	3.0723		2.9292	2.9292	2.0344	2.0344
Cl5	1.8355	2.7326	2.4133	2.9292		3.0166	2.9916	3.9655
Cl6	1.8355	2.7326	2.4133	2.9292	3.0166		3.9655	2.9916
F7	2.3436	1.3815	2.6134	2.0344	2.9916	3.9655		2.2462
F8	2.3436	1.3815	2.6134	2.0344	3.9655	2.9916	2.2462

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.472	C1	C2	F7	107.776
C1	C2	F8	107.776	C2	C1	H3	111.472
C2	C1	Cl5	108.790	C2	C1	Cl6	108.790
H3	C1	Cl5	108.640	H3	C1	Cl6	108.640
H4	C2	F7	110.471	H4	C2	F8	110.471
Cl5	C1	Cl6	110.513	F7	C2	F8	108.768

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

using model chemistry: M06-2X/3-21G

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	-0.704
2	C	0.490
3	H	0.348
4	H	0.245
5	Cl	0.101
6	Cl	0.101
7	F	-0.291
8	F	-0.291

	x	y	z	Total
	-0.021	0.219	0.000	0.220
CHELPG
AIM
ESP

	x	y	z
x	3.540	0.357	0.000
y	0.357	4.973	0.000
z	0.000	0.000	7.547

<r²>	249.690
(<r²>)^1/2	15.802

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

using model chemistry: M06-2X/3-21G

States and conformations

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