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	hartrees
Energy at 0K	-736.782095
Energy at 298.15K	-736.786551
HF Energy	-735.943373
Nuclear repulsion energy	245.901375

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3211	3051	3.58
2	A'	3110	2955	1.31
3	A'	1498	1423	0.29
4	A'	1445	1373	46.10
5	A'	1270	1207	126.89
6	A'	1169	1110	203.50
7	A'	934	888	113.80
8	A'	702	667	50.72
9	A'	553	526	15.06
10	A'	448	425	0.74
11	A'	314	299	0.84
12	A"	3225	3064	2.17
13	A"	1500	1425	1.84
14	A"	1242	1181	174.81
15	A"	997	948	50.03
16	A"	442	420	0.00
17	A"	346	328	0.50
18	A"	279	265	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.344	-0.003	0.000
C2	-0.811	1.426	0.000
Cl3	1.430	-0.120	0.000
F4	-0.811	-0.655	1.085
F5	-0.811	-0.655	-1.085
H6	-1.902	1.428	0.000
H7	-0.440	1.932	0.891
H8	-0.440	1.932	-0.891

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5025	1.7772	1.3493	1.3493	2.1152	2.1319	2.1319
C2	1.5025		2.7215	2.3465	2.3465	1.0917	1.0895	1.0895
Cl3	1.7772	2.7215		2.5459	2.5459	3.6737	2.9154	2.9154
F4	1.3493	2.3465	2.5459		2.1696	2.5896	2.6208	3.2761
F5	1.3493	2.3465	2.5459	2.1696		2.5896	3.2761	2.6208
H6	2.1152	1.0917	3.6737	2.5896	2.5896		1.7848	1.7848
H7	2.1319	1.0895	2.9154	2.6208	3.2761	1.7848		1.7812
H8	2.1319	1.0895	2.9154	3.2761	2.6208	1.7848	1.7812

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.207	C1	C2	H7	109.648
C1	C2	H8	109.648	C2	C1	Cl3	111.887
C2	C1	F4	110.621	C2	C1	F5	110.621
Cl3	C1	F4	108.259	Cl3	C1	F5	108.259
F4	C1	F5	107.025	H6	C2	H7	109.827
H6	C2	H8	109.827	H7	C2	H8	109.663

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

using model chemistry: MP2/6-311G**

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: MP2/6-311G**

States and conformations

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