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	hartrees
Energy at 0K	-1195.919031
Energy at 298.15K	-1195.922590
HF Energy	-1194.754599
Nuclear repulsion energy	379.952552

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3175	3008	6.75
2	A'	3162	2996	12.14
3	A'	1453	1376	41.10
4	A'	1281	1213	2.90
5	A'	1177	1115	102.24
6	A'	1108	1049	20.31
7	A'	819	776	28.74
8	A'	587	556	7.41
9	A'	404	383	13.35
10	A'	346	328	10.04
11	A'	253	240	0.21
12	A"	1425	1350	14.27
13	A"	1268	1202	17.94
14	A"	1204	1141	133.17
15	A"	866	820	110.55
16	A"	407	386	0.97
17	A"	183	173	1.01
18	A"	80	76	0.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.404	-0.225	0.000
C2	-0.360	1.098	0.000
H3	1.481	-0.051	0.000
H4	-1.436	0.924	0.000
Cl5	-0.006	-1.134	1.464
Cl6	-0.006	-1.134	-1.464
F7	-0.006	1.803	1.086
F8	-0.006	1.803	-1.086

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5282	1.0901	2.1698	1.7716	1.7716	2.3372	2.3372
C2	1.5282		2.1698	1.0901	2.6931	2.6931	1.3425	1.3425
H3	1.0901	2.1698		3.0753	2.3508	2.3508	2.6131	2.6131
H4	2.1698	1.0901	3.0753		2.9027	2.9027	1.9994	1.9994
Cl5	1.7716	2.6931	2.3508	2.9027		2.9283	2.9615	3.8901
Cl6	1.7716	2.6931	2.3508	2.9027	2.9283		3.8901	2.9615
F7	2.3372	1.3425	2.6131	1.9994	2.9615	3.8901		2.1727
F8	2.3372	1.3425	2.6131	1.9994	3.8901	2.9615	2.1727

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.821	C1	C2	F7	108.836
C1	C2	F8	108.836	C2	C1	H3	110.821
C2	C1	Cl5	109.178	C2	C1	Cl6	109.178
H3	C1	Cl5	108.094	H3	C1	Cl6	108.094
H4	C2	F7	110.122	H4	C2	F8	110.122
Cl5	C1	Cl6	111.477	F7	C2	F8	108.041

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

using model chemistry: QCISD/6-31G(2df,p)

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: QCISD/6-31G(2df,p)

States and conformations

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