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	hartrees
Energy at 0K	-1197.206168
Energy at 298.15K	-1197.209575
HF Energy	-1197.206168
Nuclear repulsion energy	371.609361

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3222	3222	0.90
2	A'	3209	3209	10.50
3	A'	1441	1441	28.33
4	A'	1282	1282	0.57
5	A'	1174	1174	73.27
6	A'	1084	1084	51.96
7	A'	778	778	36.38
8	A'	541	541	12.24
9	A'	389	389	23.61
10	A'	332	332	15.50
11	A'	237	237	0.45
12	A"	1399	1399	9.85
13	A"	1265	1265	12.51
14	A"	1165	1165	110.67
15	A"	808	808	118.30
16	A"	394	394	2.08
17	A"	179	179	2.14
18	A"	79	79	1.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.412	-0.202	0.000
C2	-0.369	1.095	0.000
H3	1.487	-0.037	0.000
H4	-1.443	0.930	0.000
Cl5	-0.006	-1.154	1.506
Cl6	-0.006	-1.154	-1.506
F7	-0.006	1.832	1.123
F8	-0.006	1.832	-1.123

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5137	1.0870	2.1735	1.8301	1.8301	2.3602	2.3602
C2	1.5137		2.1735	1.0870	2.7305	2.7305	1.3912	1.3912
H3	1.0870	2.1735		3.0854	2.3965	2.3965	2.6421	2.6421
H4	2.1735	1.0870	3.0854		2.9455	2.9455	2.0345	2.0345
Cl5	1.8301	2.7305	2.3965	2.9455		3.0120	3.0098	3.9779
Cl6	1.8301	2.7305	2.3965	2.9455	3.0120		3.9779	3.0098
F7	2.3602	1.3912	2.6421	2.0345	3.0098	3.9779		2.2459
F8	2.3602	1.3912	2.6421	2.0345	3.9779	3.0098	2.2459

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.347	C1	C2	F7	108.604
C1	C2	F8	108.604	C2	C1	H3	112.347
C2	C1	Cl5	109.128	C2	C1	Cl6	109.128
H3	C1	Cl5	107.742	H3	C1	Cl6	107.742
H4	C2	F7	109.759	H4	C2	F8	109.759
Cl5	C1	Cl6	110.752	F7	C2	F8	107.643

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

using model chemistry: M06-2X/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	-0.607
2	C	0.526
3	H	0.300
4	H	0.213
5	Cl	0.100
6	Cl	0.100
7	F	-0.315
8	F	-0.315

	x	y	z	Total
	-0.094	-0.288	0.000	0.303
CHELPG
AIM
ESP

	x	y	z
x	3.845	0.324	0.000
y	0.324	5.348	0.000
z	0.000	0.000	7.829

<r²>	250.747
(<r²>)^1/2	15.835

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

using model chemistry: M06-2X/6-31G

States and conformations

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