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	hartrees
Energy at 0K	-737.786529
Energy at 298.15K	-737.790823
HF Energy	-737.786529
Nuclear repulsion energy	244.645764

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3175	3064	2.50
2	A'	3076	2968	1.82
3	A'	1448	1398	0.24
4	A'	1398	1349	54.51
5	A'	1250	1206	133.34
6	A'	1122	1082	195.74
7	A'	905	873	105.04
8	A'	672	649	63.77
9	A'	543	524	16.08
10	A'	425	411	2.95
11	A'	302	291	1.08
12	A"	3194	3082	1.17
13	A"	1447	1397	1.23
14	A"	1223	1180	199.60
15	A"	972	938	40.40
16	A"	426	411	0.00
17	A"	329	318	0.64
18	A"	243	235	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.357	0.002	0.000
C2	-0.816	1.434	0.000
Cl3	1.442	-0.126	0.000
F4	-0.816	-0.656	1.085
F5	-0.816	-0.656	-1.085
H6	-1.915	1.444	0.000
H7	-0.444	1.945	0.897
H8	-0.444	1.945	-0.897

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5027	1.8043	1.3489	1.3489	2.1223	2.1414	2.1414
C2	1.5027		2.7443	2.3540	2.3540	1.0999	1.0970	1.0970
Cl3	1.8043	2.7443		2.5602	2.5602	3.7066	2.9417	2.9417
F4	1.3489	2.3540	2.5602		2.1693	2.6063	2.6340	3.2905
F5	1.3489	2.3540	2.5602	2.1693		2.6063	3.2905	2.6340
H6	2.1223	1.0999	3.7066	2.6063	2.6063		1.7944	1.7944
H7	2.1414	1.0970	2.9417	2.6340	3.2905	1.7944		1.7931
H8	2.1414	1.0970	2.9417	3.2905	2.6340	1.7944	1.7931

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.272	C1	C2	H7	109.937
C1	C2	H8	109.937	C2	C1	Cl3	111.842
C2	C1	F4	111.169	C2	C1	F5	111.169
Cl3	C1	F4	107.697	Cl3	C1	F5	107.697
F4	C1	F5	107.047	H6	C2	H7	109.527
H6	C2	H8	109.527	H7	C2	H8	109.620

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

using model chemistry: B3PW91/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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Number	Element	Mulliken
1	C	0.226
2	C	-0.044
3	Cl	-0.098
4	F	-0.159
5	F	-0.159
6	H	0.077
7	H	0.078
8	H	0.078

	x	y	z	Total
	-0.894	2.015	0.000	2.204
CHELPG
AIM
ESP

	x	y	z
x	6.079	-0.400	0.000
y	-0.400	4.274	0.000
z	0.000	0.000	3.985

<r²>	130.385
(<r²>)^1/2	11.419

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

using model chemistry: B3PW91/cc-pVDZ

States and conformations

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