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	hartrees
Energy at 0K	-1194.884738
Energy at 298.15K	-1194.888517
HF Energy	-1194.884738
Nuclear repulsion energy	380.381213

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3324	3021	14.09
2	A'	3311	3008	5.74
3	A'	1567	1424	52.99
4	A'	1382	1256	3.72
5	A'	1245	1131	169.80
6	A'	1162	1056	26.03
7	A'	860	782	42.17
8	A'	634	576	11.55
9	A'	434	394	22.22
10	A'	370	336	12.02
11	A'	268	244	0.34
12	A"	1526	1386	15.59
13	A"	1366	1241	24.72
14	A"	1260	1145	190.52
15	A"	903	821	147.69
16	A"	431	392	1.75
17	A"	196	178	1.76
18	A"	84	76	1.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.404	-0.222	0.000
C2	-0.354	1.102	0.000
H3	1.468	-0.061	0.000
H4	-1.419	0.942	0.000
Cl5	-0.007	-1.139	1.464
Cl6	-0.007	-1.139	-1.464
F7	-0.007	1.810	1.071
F8	-0.007	1.810	-1.071

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5254	1.0764	2.1621	1.7761	1.7761	2.3328	2.3328
C2	1.5254		2.1621	1.0764	2.6999	2.6999	1.3296	1.3296
H3	1.0764	2.1621		3.0561	2.3411	2.3411	2.6121	2.6121
H4	2.1621	1.0764	3.0561		2.9103	2.9103	1.9731	1.9731
Cl5	1.7761	2.6999	2.3411	2.9103		2.9285	2.9755	3.8890
Cl6	1.7761	2.6999	2.3411	2.9103	2.9285		3.8890	2.9755
F7	2.3328	1.3296	2.6121	1.9731	2.9755	3.8890		2.1413
F8	2.3328	1.3296	2.6121	1.9731	3.8890	2.9755	2.1413

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.228	C1	C2	F7	109.395
C1	C2	F8	109.395	C2	C1	H3	111.228
C2	C1	Cl5	109.492	C2	C1	Cl6	109.492
H3	C1	Cl5	107.779	H3	C1	Cl6	107.779
H4	C2	F7	109.737	H4	C2	F8	109.737
Cl5	C1	Cl6	111.055	F7	C2	F8	107.262

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

using model chemistry: HF/TZVP

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	0.046
2	C	0.387
3	H	0.164
4	H	0.087
5	Cl	-0.102
6	Cl	-0.102
7	F	-0.240
8	F	-0.240

	x	y	z	Total
	-0.085	-0.305	0.000	0.317
CHELPG
AIM
ESP

	x	y	z
x	4.826	0.205	0.000
y	0.205	6.032	0.000
z	0.000	0.000	7.798

<r²>	241.524
(<r²>)^1/2	15.541

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

using model chemistry: HF/TZVP

States and conformations

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