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	hartrees
Energy at 0K	-729.043017
Energy at 298.15K	-729.046701
HF Energy	-729.043017
Nuclear repulsion energy	234.404559

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3488	3113	0.97
2	A'	3317	2960	2.09
3	A'	1643	1466	1.98
4	A'	1528	1363	5.67
5	A'	1301	1161	119.06
6	A'	1158	1033	90.98
7	A'	918	819	63.09
8	A'	655	585	52.09
9	A'	494	441	12.44
10	A'	396	353	2.49
11	A'	270	241	1.36
12	A"	3504	3127	1.71
13	A"	1642	1465	0.84
14	A"	1389	1239	118.67
15	A"	1043	931	3.59
16	A"	394	352	1.07
17	A"	287	256	1.83
18	A"	166	148	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.419	-0.035	0.000
C2	-0.853	1.483	0.000
Cl3	1.520	-0.083	0.000
F4	-0.853	-0.710	1.126
F5	-0.853	-0.710	-1.126
H6	-1.953	1.547	0.000
H7	-0.453	1.976	0.899
H8	-0.453	1.976	-0.899

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5791	1.9389	1.3827	1.3827	2.2039	2.2031	2.2031
C2	1.5791		2.8426	2.4655	2.4655	1.1024	1.1001	1.1001
Cl3	1.9389	2.8426		2.6997	2.6997	3.8363	2.9897	2.9897
F4	1.3827	2.4655	2.6997		2.2521	2.7520	2.7254	3.3875
F5	1.3827	2.4655	2.6997	2.2521		2.7520	3.3875	2.7254
H6	2.2039	1.1024	3.8363	2.7520	2.7520		1.8007	1.8007
H7	2.2031	1.1001	2.9897	2.7254	3.3875	1.8007		1.7970
H8	2.2031	1.1001	2.9897	3.3875	2.7254	1.8007	1.7970

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.259	C1	C2	H7	109.332
C1	C2	H8	109.332	C2	C1	Cl3	107.365
C2	C1	F4	112.532	C2	C1	F5	112.532
Cl3	C1	F4	107.555	Cl3	C1	F5	107.555
F4	C1	F5	109.050	H6	C2	H7	109.688
H6	C2	H8	109.688	H7	C2	H8	109.528

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

using model chemistry: B3LYP/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	0.261
2	C	-0.233
3	Cl	-0.226
4	F	-0.054
5	F	-0.054
6	H	0.096
7	H	0.106
8	H	0.106

	x	y	z	Total
	-2.510	1.137	0.000	2.756
CHELPG
AIM
ESP

	x	y	z
x	3.967	-0.071	0.000
y	-0.071	1.987	0.000
z	0.000	0.000	2.060

<r²>	138.975
(<r²>)^1/2	11.789

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

using model chemistry: B3LYP/STO-3G

States and conformations

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