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	hartrees
Energy at 0K	-737.925597
Energy at 298.15K	-737.929863
HF Energy	-737.925597
Nuclear repulsion energy	243.688455

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3159	3046	3.48
2	A'	3074	2964	2.12
3	A'	1487	1433	1.05
4	A'	1427	1376	31.95
5	A'	1224	1180	131.14
6	A'	1135	1094	177.71
7	A'	895	863	136.61
8	A'	668	644	60.72
9	A'	531	512	14.33
10	A'	422	407	2.30
11	A'	301	290	1.43
12	A"	3175	3061	2.13
13	A"	1484	1431	3.46
14	A"	1192	1149	168.74
15	A"	965	930	77.70
16	A"	428	412	0.10
17	A"	329	317	0.46
18	A"	246	237	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.350	0.011	0.000
C2	-0.820	1.444	0.000
Cl3	1.446	-0.137	0.000
F4	-0.820	-0.654	1.091
F5	-0.820	-0.654	-1.091
H6	-1.913	1.447	0.000
H7	-0.452	1.955	0.892
H8	-0.452	1.955	-0.892

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5078	1.8028	1.3613	1.3613	2.1222	2.1405	2.1405
C2	1.5078		2.7630	2.3647	2.3647	1.0934	1.0911	1.0911
Cl3	1.8028	2.7630		2.5676	2.5676	3.7141	2.9619	2.9619
F4	1.3613	2.3647	2.5676		2.1826	2.6076	2.6415	3.2969
F5	1.3613	2.3647	2.5676	2.1826		2.6076	3.2969	2.6415
H6	2.1222	1.0934	3.7141	2.6076	2.6076		1.7851	1.7851
H7	2.1405	1.0911	2.9619	2.6415	3.2969	1.7851		1.7830
H8	2.1405	1.0911	2.9619	3.2969	2.6415	1.7851	1.7830

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.290	C1	C2	H7	109.862
C1	C2	H8	109.862	C2	C1	Cl3	112.849
C2	C1	F4	110.908	C2	C1	F5	110.908
Cl3	C1	F4	107.662	Cl3	C1	F5	107.662
F4	C1	F5	106.574	H6	C2	H7	109.607
H6	C2	H8	109.607	H7	C2	H8	109.594

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

using model chemistry: B3LYP/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	0.348
2	C	-0.457
3	Cl	0.027
4	F	-0.238
5	F	-0.238
6	H	0.184
7	H	0.187
8	H	0.187

	x	y	z	Total
	-0.651	2.310	0.000	2.400
CHELPG
AIM
ESP

	x	y	z
x	6.903	-0.316	0.000
y	-0.316	5.250	0.000
z	0.000	0.000	5.044

<r²>	131.865
(<r²>)^1/2	11.483

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

using model chemistry: B3LYP/6-31+G**

States and conformations

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