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	hartrees
Energy at 0K	-1197.081926
Energy at 298.15K	-1197.085438
HF Energy	-1196.764765
Nuclear repulsion energy	377.656015

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3169	3169	15.22
2	A'	3156	3156	4.81
3	A'	1436	1436	36.30
4	A'	1273	1273	0.33
5	A'	1141	1141	131.96
6	A'	1083	1083	35.67
7	A'	800	800	33.93
8	A'	575	575	8.04
9	A'	401	401	16.51
10	A'	348	348	10.01
11	A'	256	256	0.30
12	A"	1396	1396	10.98
13	A"	1276	1276	20.24
14	A"	1132	1132	158.83
15	A"	816	816	148.51
16	A"	397	397	2.17
17	A"	184	184	1.47
18	A"	76	76	0.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.402	-0.225	0.000
C2	-0.360	1.100	0.000
H3	1.477	-0.060	0.000
H4	-1.435	0.935	0.000
Cl5	-0.006	-1.142	1.472
Cl6	-0.006	-1.142	-1.472
F7	-0.006	1.817	1.094
F8	-0.006	1.817	-1.094

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5283	1.0876	2.1724	1.7816	1.7816	2.3528	2.3528
C2	1.5283		2.1724	1.0876	2.7052	2.7052	1.3557	1.3557
H3	1.0876	2.1724		3.0771	2.3528	2.3528	2.6306	2.6306
H4	2.1724	1.0876	3.0771		2.9195	2.9195	2.0049	2.0049
Cl5	1.7816	2.7052	2.3528	2.9195		2.9448	2.9834	3.9173
Cl6	1.7816	2.7052	2.3528	2.9195	2.9448		3.9173	2.9834
F7	2.3528	1.3557	2.6306	2.0049	2.9834	3.9173		2.1884
F8	2.3528	1.3557	2.6306	2.0049	3.9173	2.9834	2.1884

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.171	C1	C2	F7	109.186
C1	C2	F8	109.186	C2	C1	H3	111.171
C2	C1	Cl5	109.392	C2	C1	Cl6	109.392
H3	C1	Cl5	107.703	H3	C1	Cl6	107.703
H4	C2	F7	109.799	H4	C2	F8	109.799
Cl5	C1	Cl6	111.471	F7	C2	F8	107.626

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

using model chemistry: B2PLYP/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	-0.367
2	C	0.464
3	H	0.227
4	H	0.124
5	Cl	-0.001
6	Cl	-0.001
7	F	-0.223
8	F	-0.223

	x	y	z	Total
	-0.085	-0.127	0.000	0.153
CHELPG
AIM
ESP

	x	y	z
x	4.568	0.149	0.000
y	0.149	6.062	0.000
z	0.000	0.000	8.120

<r²>	244.002
(<r²>)^1/2	15.621

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

using model chemistry: B2PLYP/6-311G**

States and conformations

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