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	hartrees
Energy at 0K	-737.751130
Energy at 298.15K	-737.755443
HF Energy	-737.751130
Nuclear repulsion energy	244.875202

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3180	3048	3.83
2	A'	3087	2959	1.75
3	A'	1488	1427	0.52
4	A'	1429	1369	44.30
5	A'	1262	1209	138.43
6	A'	1140	1093	187.32
7	A'	917	879	102.04
8	A'	675	647	66.54
9	A'	541	518	15.04
10	A'	426	408	3.35
11	A'	301	289	0.94
12	A"	3198	3065	2.37
13	A"	1488	1426	1.17
14	A"	1254	1202	184.84
15	A"	995	953	35.27
16	A"	427	410	0.00
17	A"	331	317	0.74
18	A"	258	248	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.357	0.001	0.000
C2	-0.815	1.434	0.000
Cl3	1.441	-0.130	0.000
F4	-0.815	-0.652	1.086
F5	-0.815	-0.652	-1.086
H6	-1.908	1.441	0.000
H7	-0.448	1.944	0.891
H8	-0.448	1.944	-0.891

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5042	1.8028	1.3471	1.3471	2.1170	2.1397	2.1397
C2	1.5042		2.7451	2.3509	2.3509	1.0931	1.0904	1.0904
Cl3	1.8028	2.7451		2.5578	2.5578	3.6996	2.9436	2.9436
F4	1.3471	2.3509	2.5578		2.1713	2.5988	2.6289	3.2832
F5	1.3471	2.3509	2.5578	2.1713		2.5988	3.2832	2.6289
H6	2.1170	1.0931	3.6996	2.5988	2.5988		1.7828	1.7828
H7	2.1397	1.0904	2.9436	2.6289	3.2832	1.7828		1.7816
H8	2.1397	1.0904	2.9436	3.2832	2.6289	1.7828	1.7816

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.147	C1	C2	H7	110.089
C1	C2	H8	110.089	C2	C1	Cl3	111.901
C2	C1	F4	110.960	C2	C1	F5	110.960
Cl3	C1	F4	107.712	Cl3	C1	F5	107.712
F4	C1	F5	107.401	H6	C2	H7	109.465
H6	C2	H8	109.465	H7	C2	H8	109.562

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

using model chemistry: B3PW91/6-31G**

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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Number	Element	Mulliken
1	C	0.445
2	C	-0.430
3	Cl	-0.040
4	F	-0.245
5	F	-0.245
6	H	0.172
7	H	0.172
8	H	0.172

	x	y	z	Total
	-0.998	1.955	0.000	2.195
CHELPG
AIM
ESP

	x	y	z
x	6.133	-0.383	0.000
y	-0.383	4.265	0.000
z	0.000	0.000	4.074

<r²>	130.130
(<r²>)^1/2	11.407

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

using model chemistry: B3PW91/6-31G**

States and conformations

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