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	hartrees
Energy at 0K	-736.696557
Energy at 298.15K	-736.700962
HF Energy	-735.880252
Nuclear repulsion energy	244.924222

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3200	3062	4.67
2	A'	3101	2967	2.52
3	A'	1483	1418	0.06
4	A'	1437	1375	50.24
5	A'	1284	1229	130.10
6	A'	1164	1114	192.34
7	A'	939	899	90.95
8	A'	697	666	45.68
9	A'	554	530	16.63
10	A'	444	425	0.45
11	A'	309	296	0.96
12	A"	3216	3077	3.05
13	A"	1484	1420	0.80
14	A"	1272	1217	193.09
15	A"	1002	959	33.67
16	A"	435	416	0.07
17	A"	340	325	0.54
18	A"	256	245	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.349	-0.002	0.000
C2	-0.815	1.436	0.000
Cl3	1.438	-0.127	0.000
F4	-0.815	-0.654	1.085
F5	-0.815	-0.654	-1.085
H6	-1.917	1.440	0.000
H7	-0.442	1.947	0.900
H8	-0.442	1.947	-0.900

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5109	1.7912	1.3485	1.3485	2.1299	2.1483	2.1483
C2	1.5109		2.7413	2.3545	2.3545	1.1026	1.1002	1.1002
Cl3	1.7912	2.7413		2.5549	2.5549	3.7026	2.9397	2.9397
F4	1.3485	2.3545	2.5549		2.1691	2.6030	2.6339	3.2928
F5	1.3485	2.3545	2.5549	2.1691		2.6030	3.2928	2.6339
H6	2.1299	1.1026	3.7026	2.6030	2.6030		1.8013	1.8013
H7	2.1483	1.1002	2.9397	2.6339	3.2928	1.8013		1.8002
H8	2.1483	1.1002	2.9397	3.2928	2.6339	1.8013	1.8002

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.146	C1	C2	H7	109.720
C1	C2	H8	109.720	C2	C1	Cl3	111.947
C2	C1	F4	110.727	C2	C1	F5	110.727
Cl3	C1	F4	108.092	Cl3	C1	F5	108.092
F4	C1	F5	107.075	H6	C2	H7	109.715
H6	C2	H8	109.715	H7	C2	H8	109.800

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

using model chemistry: CCD/cc-pVDZ

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: CCD/cc-pVDZ

States and conformations

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