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	hartrees
Energy at 0K	-736.812232
Energy at 298.15K	-736.816616
HF Energy	-735.867777
Nuclear repulsion energy	246.522295

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3234	3054	1.40
2	A'	3129	2955	0.62
3	A'	1504	1421	0.29
4	A'	1436	1356	45.00
5	A'	1281	1210	108.83
6	A'	1154	1090	187.41
7	A'	935	883	86.95
8	A'	694	655	53.04
9	A'	552	522	13.70
10	A'	442	418	1.15
11	A'	306	289	0.86
12	A"	3252	3071	0.38
13	A"	1505	1421	1.45
14	A"	1264	1194	160.70
15	A"	1006	950	27.95
16	A"	431	407	0.00
17	A"	337	318	0.53
18	A"	259	244	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.352	-0.003	0.000
C2	-0.808	1.430	0.000
Cl3	1.428	-0.127	0.000
F4	-0.808	-0.650	1.078
F5	-0.808	-0.650	-1.078
H6	-1.899	1.435	0.000
H7	-0.437	1.933	0.890
H8	-0.437	1.933	-0.890

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5034	1.7840	1.3379	1.3379	2.1121	2.1321	2.1321
C2	1.5034		2.7246	2.3425	2.3425	1.0904	1.0877	1.0877
Cl3	1.7840	2.7246		2.5370	2.5370	3.6752	2.9177	2.9177
F4	1.3379	2.3425	2.5370		2.1569	2.5885	2.6160	3.2684
F5	1.3379	2.3425	2.5370	2.1569		2.5885	3.2684	2.6160
H6	2.1121	1.0904	3.6752	2.5885	2.5885		1.7821	1.7821
H7	2.1321	1.0877	2.9177	2.6160	3.2684	1.7821		1.7800
H8	2.1321	1.0877	2.9177	3.2684	2.6160	1.7821	1.7800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	107.972	C1	C2	H7	109.705
C1	C2	H8	109.705	C2	C1	Cl3	111.668
C2	C1	F4	110.931	C2	C1	F5	110.931
Cl3	C1	F4	107.855	Cl3	C1	F5	107.855
F4	C1	F5	107.426	H6	C2	H7	109.805
H6	C2	H8	109.805	H7	C2	H8	109.823

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

using model chemistry: MP2/6-31G(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 CH3CF2Cl (1-Chloro-1,1-Difluoroethane)

using model chemistry: MP2/6-31G(2df,p)

States and conformations

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