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	hartrees
Energy at 0K	-732.630592
Energy at 298.15K	-732.634777
HF Energy	-732.149998
Nuclear repulsion energy	237.575785

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3207	3062	0.99
2	A'	3124	2982	0.93
3	A'	1579	1508	2.37
4	A'	1516	1447	25.81
5	A'	1277	1219	161.67
6	A'	1183	1130	133.83
7	A'	901	860	127.83
8	A'	620	592	81.63
9	A'	511	488	25.60
10	A'	374	357	6.98
11	A'	292	279	0.16
12	A"	3235	3089	0.37
13	A"	1584	1512	2.85
14	A"	1326	1266	141.60
15	A"	1059	1011	31.24
16	A"	391	373	0.80
17	A"	304	290	1.82
18	A"	268	255	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.411	-0.006	0.000
C2	-0.848	1.433	0.000
Cl3	1.511	-0.100	0.000
F4	-0.848	-0.677	1.120
F5	-0.848	-0.677	-1.120
H6	-1.941	1.463	0.000
H7	-0.468	1.929	0.892
H8	-0.468	1.929	-0.892

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5035	1.9248	1.3773	1.3773	2.1208	2.1315	2.1315
C2	1.5035		2.8133	2.3896	2.3896	1.0940	1.0892	1.0892
Cl3	1.9248	2.8133		2.6746	2.6746	3.7898	2.9717	2.9717
F4	1.3773	2.3896	2.6746		2.2407	2.6520	2.6442	3.3151
F5	1.3773	2.3896	2.6746	2.2407		2.6520	3.3151	2.6442
H6	2.1208	1.0940	3.7898	2.6520	2.6520		1.7843	1.7843
H7	2.1315	1.0892	2.9717	2.6442	3.3151	1.7843		1.7844
H8	2.1315	1.0892	2.9717	3.3151	2.6442	1.7843	1.7844

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.444	C1	C2	H7	109.558
C1	C2	H8	109.558	C2	C1	Cl3	109.680
C2	C1	F4	112.014	C2	C1	F5	112.014
Cl3	C1	F4	107.013	Cl3	C1	F5	107.013
F4	C1	F5	108.863	H6	C2	H7	109.631
H6	C2	H8	109.631	H7	C2	H8	109.995

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

using model chemistry: MP2=FULL/3-21G

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/3-21G

States and conformations

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