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	hartrees
Energy at 0K	-728.572740
Energy at 298.15K	-728.576332
HF Energy	-728.572740
Nuclear repulsion energy	233.155103

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3423	3127	0.60
2	A'	3253	2972	1.94
3	A'	1605	1466	2.09
4	A'	1482	1354	6.61
5	A'	1273	1163	119.63
6	A'	1123	1026	87.78
7	A'	893	815	57.32
8	A'	634	579	52.41
9	A'	487	445	10.21
10	A'	382	349	4.58
11	A'	262	239	1.43
12	A"	3439	3142	1.43
13	A"	1602	1463	0.62
14	A"	1365	1247	125.85
15	A"	1016	928	2.80
16	A"	386	353	0.66
17	A"	278	254	1.68
18	A"	163	149	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	-0.430	-0.040	0.000
C2	-0.858	1.482	0.000
Cl3	1.531	-0.074	0.000
F4	-0.858	-0.717	1.132
F5	-0.858	-0.717	-1.132
H6	-1.963	1.556	0.000
H7	-0.452	1.976	0.902
H8	-0.452	1.976	-0.902

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5805	1.9610	1.3869	1.3869	2.2131	2.2081	2.2081
C2	1.5805		2.8504	2.4733	2.4733	1.1080	1.1054	1.1054
Cl3	1.9610	2.8504		2.7206	2.7206	3.8555	2.9909	2.9909
F4	1.3869	2.4733	2.7206		2.2639	2.7697	2.7330	3.3990
F5	1.3869	2.4733	2.7206	2.2639		2.7697	3.3990	2.7330
H6	2.2131	1.1080	3.8555	2.7697	2.7697		1.8092	1.8092
H7	2.2081	1.1054	2.9909	2.7330	3.3990	1.8092		1.8038
H8	2.2081	1.1054	2.9909	3.3990	2.7330	1.8092	1.8038

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.553	C1	C2	H7	109.315
C1	C2	H8	109.315	C2	C1	Cl3	106.700
C2	C1	F4	112.749	C2	C1	F5	112.749
Cl3	C1	F4	107.466	Cl3	C1	F5	107.466
F4	C1	F5	109.404	H6	C2	H7	109.646
H6	C2	H8	109.646	H7	C2	H8	109.351

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

using model chemistry: PBEPBE/STO-3G

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	0.224
2	C	-0.248
3	Cl	-0.241
4	F	-0.026
5	F	-0.026
6	H	0.098
7	H	0.109
8	H	0.109

	x	y	z	Total
	-2.756	0.949	0.000	2.915
CHELPG
AIM
ESP

	x	y	z
x	4.028	-0.037	0.000
y	-0.037	2.027	0.000
z	0.000	0.000	2.128

<r²>	140.158
(<r²>)^1/2	11.839

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

using model chemistry: PBEPBE/STO-3G

States and conformations

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