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	hartrees
Energy at 0K	-737.047547
Energy at 298.15K	-737.051922
HF Energy	-735.994845
Nuclear repulsion energy	246.064014

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3203	3052	1.93
2	A'	3101	2955	0.86
3	A'	1502	1432	0.37
4	A'	1431	1364	38.64
5	A'	1254	1195	100.35
6	A'	1153	1098	180.42
7	A'	921	878	110.66
8	A'	692	659	47.40
9	A'	545	519	12.25
10	A'	441	420	0.72
11	A'	306	292	1.29
12	A"	3216	3065	0.59
13	A"	1500	1429	3.33
14	A"	1210	1153	150.00
15	A"	985	939	56.20
16	A"	435	414	0.09
17	A"	336	320	0.34
18	A"	252	240	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.350	-0.004	0.000
C2	-0.809	1.426	0.000
Cl3	1.428	-0.120	0.000
F4	-0.809	-0.654	1.085
F5	-0.809	-0.654	-1.085
H6	-1.897	1.428	0.000
H7	-0.438	1.928	0.889
H8	-0.438	1.928	-0.889

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5021	1.7816	1.3452	1.3452	2.1085	2.1282	2.1282
C2	1.5021		2.7191	2.3461	2.3461	1.0884	1.0858	1.0858
Cl3	1.7816	2.7191		2.5427	2.5427	3.6679	2.9092	2.9092
F4	1.3452	2.3461	2.5427		2.1692	2.5878	2.6157	3.2707
F5	1.3452	2.3461	2.5427	2.1692		2.5878	3.2707	2.6157
H6	2.1085	1.0884	3.6679	2.5878	2.5878		1.7803	1.7803
H7	2.1282	1.0858	2.9092	2.6157	3.2707	1.7803		1.7774
H8	2.1282	1.0858	2.9092	3.2707	2.6157	1.7803	1.7774

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	107.895	C1	C2	H7	109.593
C1	C2	H8	109.593	C2	C1	Cl3	111.517
C2	C1	F4	110.845	C2	C1	F5	110.845
Cl3	C1	F4	108.005	Cl3	C1	F5	108.005
F4	C1	F5	107.466	H6	C2	H7	109.934
H6	C2	H8	109.934	H7	C2	H8	109.863

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

using model chemistry: MP2/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

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