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	hartrees
Energy at 0K	-1197.131668
Energy at 298.15K
HF Energy	-1196.764785
Nuclear repulsion energy	377.760894

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3169	3169	15.35
2	A'	3157	3157	4.69
3	A'	1436	1436	36.45
4	A'	1273	1273	0.32
5	A'	1142	1142	131.77
6	A'	1083	1083	35.63
7	A'	801	801	33.76
8	A'	576	576	8.03
9	A'	401	401	16.34
10	A'	348	348	10.12
11	A'	256	256	0.30
12	A"	1395	1395	11.03
13	A"	1276	1276	20.22
14	A"	1133	1133	158.87
15	A"	817	817	147.86
16	A"	398	398	2.13
17	A"	185	185	1.46
18	A"	77	77	0.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.402	-0.225	0.000
C2	-0.360	1.099	0.000
H3	1.476	-0.060	0.000
H4	-1.435	0.934	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		1.5277	1.0875	2.1715	1.7811	1.7811	2.3522	2.3522
C2	1.5277		2.1715	1.0875	2.7044	2.7044	1.3554	1.3554
H3	1.0875	2.1715		3.0761	2.3522	2.3522	2.6298	2.6298
H4	2.1715	1.0875	3.0761		2.9185	2.9185	2.0046	2.0046
Cl5	1.7811	2.7044	2.3522	2.9185		2.9438	2.9828	3.9163
Cl6	1.7811	2.7044	2.3522	2.9185	2.9438		3.9163	2.9828
F7	2.3522	1.3554	2.6298	2.0046	2.9828	3.9163		2.1877
F8	2.3522	1.3554	2.6298	2.0046	3.9163	2.9828	2.1877

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.154	C1	C2	F7	109.201
C1	C2	F8	109.201	C2	C1	H3	111.154
C2	C1	Cl5	109.402	C2	C1	Cl6	109.402
H3	C1	Cl5	107.704	H3	C1	Cl6	107.704
H4	C2	F7	109.800	H4	C2	F8	109.800
Cl5	C1	Cl6	111.465	F7	C2	F8	107.611

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

using model chemistry: B2PLYP=FULLultrafine/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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All results from a given calculation for CHCl2CHF2 (1,1-dichloro-2,2-difluoroethane)

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

States and conformations

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