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	hartrees
Energy at 0K	-737.135957
Energy at 298.15K	-737.129872
HF Energy	-735.836677
Nuclear repulsion energy	247.666731

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3309	3309	8.78
2	A'	3223	3223	4.60
3	A'	1614	1614	0.13
4	A'	1568	1568	36.93
5	A'	1367	1367	173.25
6	A'	1251	1251	214.71
7	A'	1004	1004	138.00
8	A'	741	741	59.06
9	A'	588	588	22.32
10	A'	473	473	0.65
11	A'	327	327	1.01
12	A"	3327	3327	7.21
13	A"	1616	1616	0.65
14	A"	1370	1370	213.35
15	A"	1092	1092	47.04
16	A"	462	462	0.11
17	A"	366	366	0.65
18	A"	276	276	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.345	0.002	0.000
C2	-0.808	1.436	0.000
Cl3	1.426	-0.145	0.000
F4	-0.808	-0.638	1.065
F5	-0.808	-0.638	-1.065
H6	-1.894	1.437	0.000
H7	-0.445	1.943	0.886
H8	-0.445	1.943	-0.886

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5062	1.7768	1.3263	1.3263	2.1109	2.1356	2.1356
C2	1.5062		2.7360	2.3317	2.3317	1.0863	1.0837	1.0837
Cl3	1.7768	2.7360		2.5229	2.5229	3.6770	2.9396	2.9396
F4	1.3263	2.3317	2.5229		2.1304	2.5730	2.6126	3.2561
F5	1.3263	2.3317	2.5229	2.1304		2.5730	3.2561	2.6126
H6	2.1109	1.0863	3.6770	2.5730	2.5730		1.7726	1.7726
H7	2.1356	1.0837	2.9396	2.6126	3.2561	1.7726		1.7727
H8	2.1356	1.0837	2.9396	3.2561	2.6126	1.7726	1.7727

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	107.928	C1	C2	H7	110.020
C1	C2	H8	110.020	C2	C1	Cl3	112.633
C2	C1	F4	110.651	C2	C1	F5	110.651
Cl3	C1	F4	107.906	Cl3	C1	F5	107.906
F4	C1	F5	106.865	H6	C2	H7	109.545
H6	C2	H8	109.545	H7	C2	H8	109.756

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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