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	hartrees
Energy at 0K	-736.624817
Energy at 298.15K	-736.629250
HF Energy	-735.847315
Nuclear repulsion energy	245.601964

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3272	3057	3.29
2	A'	3163	2956	0.99
3	A'	1544	1443	0.65
4	A'	1478	1381	38.21
5	A'	1288	1204	119.08
6	A'	1189	1111	185.41
7	A'	947	885	106.33
8	A'	700	654	50.26
9	A'	544	508	14.19
10	A'	445	416	0.56
11	A'	312	292	0.89
12	A"	3285	3070	2.08
13	A"	1542	1440	1.83
14	A"	1271	1188	158.48
15	A"	1018	951	46.97
16	A"	438	409	0.02
17	A"	344	321	0.58
18	A"	280	261	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.339	0.005	0.000
C2	-0.812	1.427	0.000
Cl3	1.430	-0.127	0.000
F4	-0.812	-0.651	1.091
F5	-0.812	-0.651	-1.091
H6	-1.898	1.415	0.000
H7	-0.451	1.935	0.887
H8	-0.451	1.935	-0.887

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.4985	1.7742	1.3575	1.3575	2.1021	2.1274	2.1274
C2	1.4985		2.7272	2.3467	2.3467	1.0863	1.0843	1.0843
Cl3	1.7742	2.7272		2.5475	2.5475	3.6676	2.9282	2.9282
F4	1.3575	2.3467	2.5475		2.1818	2.5766	2.6189	3.2757
F5	1.3575	2.3467	2.5475	2.1818		2.5766	3.2757	2.6189
H6	2.1021	1.0863	3.6676	2.5766	2.5766		1.7752	1.7752
H7	2.1274	1.0843	2.9282	2.6189	3.2757	1.7752		1.7745
H8	2.1274	1.0843	2.9282	3.2757	2.6189	1.7752	1.7745

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	107.761	C1	C2	H7	109.876
C1	C2	H8	109.876	C2	C1	Cl3	112.608
C2	C1	F4	110.407	C2	C1	F5	110.407
Cl3	C1	F4	108.132	Cl3	C1	F5	108.132
F4	C1	F5	106.953	H6	C2	H7	109.737
H6	C2	H8	109.737	H7	C2	H8	109.825

All results from a given calculation for CH₃CF₂Cl (1-Chloro-1,1-Difluoroethane)

using model chemistry: MP2=FULL/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 CH3CF2Cl (1-Chloro-1,1-Difluoroethane)

using model chemistry: MP2=FULL/6-31G**

States and conformations

All results from a given calculation for CH₃CF₂Cl (1-Chloro-1,1-Difluoroethane)