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	hartrees
Energy at 0K	-737.331254
Energy at 298.15K	-737.335319
HF Energy	-737.331254
Nuclear repulsion energy	237.266193

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3117	3074	2.38
2	A'	3024	2982	0.86
3	A'	1480	1460	3.51
4	A'	1425	1405	33.18
5	A'	1214	1197	129.19
6	A'	1126	1110	158.49
7	A'	852	840	121.13
8	A'	608	599	84.96
9	A'	488	482	17.30
10	A'	382	377	5.80
11	A'	281	277	0.90
12	A"	3138	3095	1.30
13	A"	1477	1456	5.36
14	A"	1199	1183	139.85
15	A"	949	936	59.99
16	A"	398	392	0.02
17	A"	301	297	1.06
18	A"	253	249	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.383	0.015	0.000
C2	-0.845	1.443	0.000
Cl3	1.498	-0.116	0.000
F4	-0.845	-0.675	1.130
F5	-0.845	-0.675	-1.130
H6	-1.947	1.458	0.000
H7	-0.476	1.961	0.896
H8	-0.476	1.961	-0.896

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5012	1.8860	1.4018	1.4018	2.1277	2.1445	2.1445
C2	1.5012		2.8146	2.4006	2.4006	1.1020	1.0986	1.0986
Cl3	1.8860	2.8146		2.6604	2.6604	3.7875	3.0025	3.0025
F4	1.4018	2.4006	2.6604		2.2599	2.6532	2.6715	3.3447
F5	1.4018	2.4006	2.6604	2.2599		2.6532	3.3447	2.6715
H6	2.1277	1.1020	3.7875	2.6532	2.6532		1.7941	1.7941
H7	2.1445	1.0986	3.0025	2.6715	3.3447	1.7941		1.7923
H8	2.1445	1.0986	3.0025	3.3447	2.6715	1.7941	1.7923

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.664	C1	C2	H7	110.188
C1	C2	H8	110.188	C2	C1	Cl3	111.890
C2	C1	F4	111.522	C2	C1	F5	111.522
Cl3	C1	F4	107.109	Cl3	C1	F5	107.109
F4	C1	F5	107.420	H6	C2	H7	109.230
H6	C2	H8	109.230	H7	C2	H8	109.319

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

using model chemistry: PBEPBE/6-31G

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	0.274
2	C	-0.467
3	Cl	0.039
4	F	-0.232
5	F	-0.232
6	H	0.207
7	H	0.206
8	H	0.206

	x	y	z	Total
	-1.183	2.446	0.000	2.717
CHELPG
AIM
ESP

	x	y	z
x	6.406	-0.355	0.000
y	-0.355	3.947	0.000
z	0.000	0.000	3.908

<r²>	137.586
(<r²>)^1/2	11.730

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

using model chemistry: PBEPBE/6-31G

States and conformations

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