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	hartrees
Energy at 0K	-76.431662
Energy at 298.15K	-76.435881
HF Energy	-76.431662
Nuclear repulsion energy	106.031860

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3137	3041	9.52
2	A'	3053	2960	4.41
3	A'	1489	1443	0.53
4	A'	1427	1383	30.47
5	A'	1218	1181	141.38
6	A'	1132	1097	173.35
7	A'	891	864	131.99
8	A'	662	641	57.47
9	A'	526	510	14.99
10	A'	417	404	2.07
11	A'	293	284	1.20
12	A"	3155	3059	7.60
13	A"	1487	1442	2.78
14	A"	1200	1163	164.66
15	A"	968	939	69.91
16	A"	420	407	0.02
17	A"	322	312	0.49
18	A"	240	233	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.357	0.006	0.000
C2	-0.826	1.454	0.000
Cl3	1.458	-0.133	0.000
F4	-0.826	-0.661	1.095
F5	-0.826	-0.661	-1.095
H6	-1.922	1.461	0.000
H7	-0.455	1.963	0.893
H8	-0.455	1.963	-0.893

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5219	1.8199	1.3655	1.3655	2.1367	2.1533	2.1533
C2	1.5219		2.7808	2.3815	2.3815	1.0959	1.0931	1.0931
Cl3	1.8199	2.7808		2.5874	2.5874	3.7365	2.9747	2.9747
F4	1.3655	2.3815	2.5874		2.1907	2.6271	2.6574	3.3131
F5	1.3655	2.3815	2.5874	2.1907		2.6271	3.3131	2.6574
H6	2.1367	1.0959	3.7365	2.6271	2.6271		1.7894	1.7894
H7	2.1533	1.0931	2.9747	2.6574	3.3131	1.7894		1.7869
H8	2.1533	1.0931	2.9747	3.3131	2.6574	1.7894	1.7869

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.315	C1	C2	H7	109.777
C1	C2	H8	109.777	C2	C1	Cl3	112.330
C2	C1	F4	111.018	C2	C1	F5	111.018
Cl3	C1	F4	107.780	Cl3	C1	F5	107.780
F4	C1	F5	106.670	H6	C2	H7	109.657
H6	C2	H8	109.657	H7	C2	H8	109.638

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

using model chemistry: B3LYP/CEP-121G*

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	0.493
2	C	-0.578
3	Cl	-0.108
4	F	-0.201
5	F	-0.201
6	H	0.196
7	H	0.199
8	H	0.199

	x	y	z	Total
	-0.695	2.201	0.000	2.308
CHELPG
AIM
ESP

	x	y	z
x	6.701	-0.379	0.000
y	-0.379	4.868	0.000
z	0.000	0.000	4.561

<r²>	96.084
(<r²>)^1/2	9.802

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

using model chemistry: B3LYP/CEP-121G*

States and conformations

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