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	hartrees
Energy at 0K	-1195.628639
Energy at 298.15K	-1195.632205
HF Energy	-1194.725716
Nuclear repulsion energy	378.235746

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3179	3028	11.73
2	A'	3169	3018	11.00
3	A'	1470	1400	41.38
4	A'	1294	1232	0.67
5	A'	1179	1123	96.34
6	A'	1113	1060	38.76
7	A'	825	786	32.49
8	A'	573	546	7.67
9	A'	406	387	17.76
10	A'	355	338	11.19
11	A'	260	248	0.28
12	A"	1427	1359	18.20
13	A"	1311	1249	22.18
14	A"	1188	1131	131.72
15	A"	868	826	114.04
16	A"	407	388	0.94
17	A"	188	179	1.45
18	A"	84	80	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.402	-0.227	0.000
C2	-0.363	1.094	0.000
H3	1.480	-0.054	0.000
H4	-1.441	0.921	0.000
Cl5	-0.005	-1.138	1.468
Cl6	-0.005	-1.138	-1.468
F7	-0.005	1.812	1.099
F8	-0.005	1.812	-1.099

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5258	1.0925	2.1709	1.7748	1.7748	2.3518	2.3518
C2	1.5258		2.1709	1.0925	2.6949	2.6949	1.3608	1.3608
H3	1.0925	2.1709		3.0797	2.3529	2.3529	2.6261	2.6261
H4	2.1709	1.0925	3.0797		2.9076	2.9076	2.0161	2.0161
Cl5	1.7748	2.6949	2.3529	2.9076		2.9355	2.9728	3.9105
Cl6	1.7748	2.6949	2.3529	2.9076	2.9355		3.9105	2.9728
F7	2.3518	1.3608	2.6261	2.0161	2.9728	3.9105		2.1986
F8	2.3518	1.3608	2.6261	2.0161	3.9105	2.9728	2.1986

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.935	C1	C2	F7	108.985
C1	C2	F8	108.985	C2	C1	H3	110.935
C2	C1	Cl5	109.240	C2	C1	Cl6	109.240
H3	C1	Cl5	107.919	H3	C1	Cl6	107.919
H4	C2	F7	110.049	H4	C2	F8	110.049
Cl5	C1	Cl6	111.586	F7	C2	F8	107.768

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

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

using model chemistry: QCISD/6-31G*

States and conformations

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