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	hartrees
Energy at 0K	-732.812256
Energy at 298.15K	-732.816543
HF Energy	-732.259451
Nuclear repulsion energy	241.634214

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3209	3052	2.06
2	A'	3127	2974	0.57
3	A'	1582	1505	2.08
4	A'	1515	1441	24.15
5	A'	1261	1200	140.45
6	A'	1189	1131	124.56
7	A'	909	865	125.47
8	A'	640	609	78.01
9	A'	517	491	19.36
10	A'	411	391	2.41
11	A'	310	295	0.45
12	A"	3231	3074	0.98
13	A"	1585	1508	4.35
14	A"	1307	1243	116.01
15	A"	1047	996	34.57
16	A"	406	386	0.77
17	A"	323	307	0.99
18	A"	270	257	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.352	-0.001	0.000
C2	-0.821	1.435	0.000
Cl3	1.449	-0.111	0.000
F4	-0.821	-0.669	1.122
F5	-0.821	-0.669	-1.122
H6	-1.914	1.436	0.000
H7	-0.454	1.940	0.893
H8	-0.454	1.940	-0.893

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5101	1.8048	1.3874	1.3874	2.1227	2.1386	2.1386
C2	1.5101		2.7466	2.3837	2.3837	1.0932	1.0896	1.0896
Cl3	1.8048	2.7466		2.5933	2.5933	3.7025	2.9370	2.9370
F4	1.3874	2.3837	2.5933		2.2440	2.6237	2.6438	3.3163
F5	1.3874	2.3837	2.5933	2.2440		2.6237	3.3163	2.6438
H6	2.1227	1.0932	3.7025	2.6237	2.6237		1.7841	1.7841
H7	2.1386	1.0896	2.9370	2.6438	3.3163	1.7841		1.7861
H8	2.1386	1.0896	2.9370	3.3163	2.6438	1.7841	1.7861

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.181	C1	C2	H7	109.636
C1	C2	H8	109.636	C2	C1	Cl3	111.593
C2	C1	F4	110.638	C2	C1	F5	110.638
Cl3	C1	F4	107.945	Cl3	C1	F5	107.945
F4	C1	F5	107.946	H6	C2	H7	109.636
H6	C2	H8	109.636	H7	C2	H8	110.085

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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