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	hartrees
Energy at 0K	-737.881383
Energy at 298.15K	-737.885696
HF Energy	-737.881383
Nuclear repulsion energy	245.828516

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3200	3061	2.45
2	A'	3104	2969	1.44
3	A'	1485	1420	0.71
4	A'	1427	1365	47.49
5	A'	1253	1199	126.97
6	A'	1142	1092	203.72
7	A'	918	878	111.87
8	A'	684	654	60.29
9	A'	539	515	15.10
10	A'	434	415	1.10
11	A'	301	288	1.43
12	A"	3215	3075	1.29
13	A"	1483	1418	2.69
14	A"	1219	1166	196.07
15	A"	981	939	52.76
16	A"	428	409	0.03
17	A"	331	317	0.51
18	A"	250	239	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.345	0.009	0.000
C2	-0.811	1.434	0.000
Cl3	1.430	-0.134	0.000
F4	-0.811	-0.650	1.082
F5	-0.811	-0.650	-1.082
H6	-1.901	1.438	0.000
H7	-0.443	1.942	0.889
H8	-0.443	1.942	-0.889

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.4988	1.7809	1.3504	1.3504	2.1123	2.1293	2.1293
C2	1.4988		2.7349	2.3485	2.3485	1.0903	1.0881	1.0881
Cl3	1.7809	2.7349		2.5418	2.5418	3.6834	2.9335	2.9335
F4	1.3504	2.3485	2.5418		2.1647	2.5923	2.6250	3.2773
F5	1.3504	2.3485	2.5418	2.1647		2.5923	3.2773	2.6250
H6	2.1123	1.0903	3.6834	2.5923	2.5923		1.7809	1.7809
H7	2.1293	1.0881	2.9335	2.6250	3.2773	1.7809		1.7785
H8	2.1293	1.0881	2.9335	3.2773	2.6250	1.7809	1.7785

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.311	C1	C2	H7	109.773
C1	C2	H8	109.773	C2	C1	Cl3	112.713
C2	C1	F4	110.918	C2	C1	F5	110.918
Cl3	C1	F4	107.739	Cl3	C1	F5	107.739
F4	C1	F5	106.545	H6	C2	H7	109.672
H6	C2	H8	109.672	H7	C2	H8	109.620

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

using model chemistry: B1B95/6-31+G**

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	0.279
2	C	-0.481
3	Cl	0.049
4	F	-0.223
5	F	-0.223
6	H	0.197
7	H	0.200
8	H	0.200

	x	y	z	Total
	-0.632	2.274	0.000	2.360
CHELPG
AIM
ESP

	x	y	z
x	6.689	-0.312	0.000
y	-0.312	5.117	0.000
z	0.000	0.000	4.909

<r²>	129.647
(<r²>)^1/2	11.386

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

using model chemistry: B1B95/6-31+G**

States and conformations

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