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	hartrees
Energy at 0K	-733.904790
Energy at 298.15K	-733.909044
HF Energy	-733.904790
Nuclear repulsion energy	242.950511

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3193	3065	1.58
2	A'	3110	2986	0.60
3	A'	1539	1478	1.87
4	A'	1481	1422	38.38
5	A'	1262	1211	143.15
6	A'	1169	1122	150.60
7	A'	910	873	114.57
8	A'	640	614	85.79
9	A'	515	494	18.79
10	A'	408	392	3.61
11	A'	307	294	0.45
12	A"	3218	3089	0.48
13	A"	1546	1484	4.05
14	A"	1289	1237	143.74
15	A"	1032	991	25.33
16	A"	402	386	0.37
17	A"	317	304	1.09
18	A"	266	256	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.357	-0.004	0.000
C2	-0.817	1.422	0.000
Cl3	1.445	-0.105	0.000
F4	-0.817	-0.667	1.113
F5	-0.817	-0.667	-1.113
H6	-1.911	1.434	0.000
H7	-0.450	1.929	0.892
H8	-0.450	1.929	-0.892

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.4985	1.8042	1.3744	1.3744	2.1173	2.1316	2.1316
C2	1.4985		2.7286	2.3670	2.3670	1.0941	1.0902	1.0902
Cl3	1.8042	2.7286		2.5822	2.5822	3.6915	2.9194	2.9194
F4	1.3744	2.3670	2.5822		2.2251	2.6171	2.6317	3.3010
F5	1.3744	2.3670	2.5822	2.2251		2.6171	3.3010	2.6317
H6	2.1173	1.0941	3.6915	2.6171	2.6171		1.7824	1.7824
H7	2.1316	1.0902	2.9194	2.6317	3.3010	1.7824		1.7846
H8	2.1316	1.0902	2.9194	3.3010	2.6317	1.7824	1.7846

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.497	C1	C2	H7	109.850
C1	C2	H8	109.850	C2	C1	Cl3	111.077
C2	C1	F4	110.881	C2	C1	F5	110.881
Cl3	C1	F4	107.891	Cl3	C1	F5	107.891
F4	C1	F5	108.089	H6	C2	H7	109.376
H6	C2	H8	109.376	H7	C2	H8	109.870

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

using model chemistry: HSEh1PBE/3-21G*

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	0.444
2	C	-0.689
3	Cl	-0.005
4	F	-0.270
5	F	-0.270
6	H	0.266
7	H	0.262
8	H	0.262

	x	y	z	Total
	-0.903	2.154	0.000	2.335
CHELPG
AIM
ESP

	x	y	z
x	5.647	-0.315	0.000
y	-0.315	3.708	0.000
z	0.000	0.000	3.674

<r²>	131.699
(<r²>)^1/2	11.476

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

using model chemistry: HSEh1PBE/3-21G*

States and conformations

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