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	hartrees
Energy at 0K	-1194.730799
Energy at 298.15K	-1194.734579
HF Energy	-1194.730799
Nuclear repulsion energy	380.907895

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3338	3013	16.33
2	A'	3327	3003	9.95
3	A'	1576	1423	56.91
4	A'	1383	1248	3.08
5	A'	1254	1132	150.41
6	A'	1178	1063	28.04
7	A'	866	782	44.33
8	A'	621	560	11.02
9	A'	432	390	20.73
10	A'	375	339	12.42
11	A'	273	247	0.38
12	A"	1537	1388	22.87
13	A"	1376	1242	26.49
14	A"	1287	1162	162.59
15	A"	910	821	151.69
16	A"	433	391	1.61
17	A"	198	179	1.68
18	A"	87	79	1.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.397	-0.221	0.000
C2	-0.360	1.102	0.000
H3	1.462	-0.058	0.000
H4	-1.425	0.939	0.000
Cl5	-0.005	-1.137	1.460
Cl6	-0.005	-1.137	-1.460
F7	-0.005	1.805	1.076
F8	-0.005	1.805	-1.076

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5237	1.0777	2.1593	1.7693	1.7693	2.3289	2.3289
C2	1.5237		2.1593	1.0777	2.6957	2.6957	1.3335	1.3335
H3	1.0777	2.1593		3.0539	2.3336	2.3336	2.6039	2.6039
H4	2.1593	1.0777	3.0539		2.9076	2.9076	1.9809	1.9809
Cl5	1.7693	2.6957	2.3336	2.9076		2.9198	2.9661	3.8837
Cl6	1.7693	2.6957	2.3336	2.9076	2.9198		3.8837	2.9661
F7	2.3289	1.3335	2.6039	1.9809	2.9661	3.8837		2.1527
F8	2.3289	1.3335	2.6039	1.9809	3.8837	2.9661	2.1527

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.053	C1	C2	F7	109.010
C1	C2	F8	109.010	C2	C1	H3	111.053
C2	C1	Cl5	109.667	C2	C1	Cl6	109.667
H3	C1	Cl5	107.611	H3	C1	Cl6	107.611
H4	C2	F7	110.029	H4	C2	F8	110.029
Cl5	C1	Cl6	111.204	F7	C2	F8	107.634

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

using model chemistry: HF/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	-0.375
2	C	0.721
3	H	0.241
4	H	0.138
5	Cl	0.004
6	Cl	0.004
7	F	-0.367
8	F	-0.367

	x	y	z	Total
	-0.060	-0.012	0.000	0.061
CHELPG
AIM
ESP

	x	y	z
x	4.390	0.179	0.000
y	0.179	5.568	0.000
z	0.000	0.000	7.237

<r²>	240.484
(<r²>)^1/2	15.508

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

using model chemistry: HF/6-31G**

States and conformations

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