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	hartrees
Energy at 0K	-732.844222
Energy at 298.15K	-732.848478
HF Energy	-732.259177
Nuclear repulsion energy	241.404096

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3146	3023	3.40
2	A'	3071	2952	1.25
3	A'	1559	1498	1.64
4	A'	1496	1438	21.51
5	A'	1253	1204	138.76
6	A'	1176	1131	115.79
7	A'	908	872	114.14
8	A'	638	613	66.92
9	A'	513	493	19.41
10	A'	409	393	1.29
11	A'	308	296	0.57
12	A"	3167	3044	2.20
13	A"	1563	1502	3.55
14	A"	1303	1252	115.39
15	A"	1043	1003	28.54
16	A"	402	386	0.83
17	A"	321	309	0.93
18	A"	261	251	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.351	-0.001	0.000
C2	-0.822	1.439	0.000
Cl3	1.451	-0.115	0.000
F4	-0.822	-0.667	1.121
F5	-0.822	-0.667	-1.121
H6	-1.919	1.442	0.000
H7	-0.454	1.946	0.896
H8	-0.454	1.946	-0.896

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5159	1.8054	1.3868	1.3868	2.1314	2.1466	2.1466
C2	1.5159		2.7536	2.3867	2.3867	1.0972	1.0937	1.0937
Cl3	1.8054	2.7536		2.5941	2.5941	3.7123	2.9461	2.9461
F4	1.3868	2.3867	2.5941		2.2430	2.6289	2.6493	3.3225
F5	1.3868	2.3867	2.5941	2.2430		2.6289	3.3225	2.6493
H6	2.1314	1.0972	3.7123	2.6289	2.6289		1.7904	1.7904
H7	2.1466	1.0937	2.9461	2.6493	3.3225	1.7904		1.7925
H8	2.1466	1.0937	2.9461	3.3225	2.6493	1.7904	1.7925

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.244	C1	C2	H7	109.629
C1	C2	H8	109.629	C2	C1	Cl3	111.713
C2	C1	F4	110.540	C2	C1	F5	110.540
Cl3	C1	F4	107.993	Cl3	C1	F5	107.993
F4	C1	F5	107.929	H6	C2	H7	109.620
H6	C2	H8	109.620	H7	C2	H8	110.070

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

using model chemistry: QCISD/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: QCISD/3-21G*

States and conformations

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