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	hartrees
Energy at 0K	-1098.196481
Energy at 298.15K	-1098.200358
HF Energy	-1098.196481
Nuclear repulsion energy	294.859268

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3129	3075	3.07
2	A'	3022	2970	3.94
3	A'	1457	1432	3.86
4	A'	1390	1367	15.05
5	A'	1137	1118	109.50
6	A'	1096	1077	68.81
7	A'	892	877	110.79
8	A'	559	550	31.67
9	A'	415	407	2.15
10	A'	368	362	3.15
11	A'	251	246	0.07
12	A"	3112	3058	5.33
13	A"	1459	1434	1.45
14	A"	1082	1063	98.68
15	A"	675	664	219.78
16	A"	376	370	6.90
17	A"	294	288	0.47
18	A"	272	268	0.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.016	0.343	0.000
C2	-1.167	1.292	0.000
F3	1.191	1.052	0.000
Cl4	0.016	-0.701	1.482
Cl5	0.016	-0.701	-1.482
H6	-2.103	0.726	0.000
H7	-1.117	1.920	0.896
H8	-1.117	1.920	-0.896

	C1	C2	F3	Cl4	Cl5	H6	H7	H8
C1		1.5164	1.3724	1.8125	1.8125	2.1530	2.1388	2.1388
C2	1.5164		2.3699	2.7507	2.7507	1.0940	1.0961	1.0961
F3	1.3724	2.3699		2.5786	2.5786	3.3098	2.6233	2.6233
Cl4	1.8125	2.7507	2.5786		2.9632	2.9529	2.9151	3.7163
Cl5	1.8125	2.7507	2.5786	2.9632		2.9529	3.7163	2.9151
H6	2.1530	1.0940	3.3098	2.9529	2.9529		1.7901	1.7901
H7	2.1388	1.0961	2.6233	2.9151	3.7163	1.7901		1.7930
H8	2.1388	1.0961	2.6233	3.7163	2.9151	1.7901	1.7930

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.591	C1	C2	H7	108.803
C1	C2	H8	108.803	C2	C1	F3	109.873
C2	C1	Cl4	110.706	C2	C1	Cl5	110.706
F3	C1	Cl4	107.810	F3	C1	Cl5	107.810
Cl4	C1	Cl5	109.846	H6	C2	H7	109.548
H6	C2	H8	109.548	H7	C2	H8	109.529

All results from a given calculation for CH₃CFCl₂ (1,1-Dichloro-1-fluoroethane)

using model chemistry: B97D3/6-31+G**

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	0.037
2	C	-0.520
3	F	-0.164
4	Cl	0.031
5	Cl	0.031
6	H	0.196
7	H	0.194
8	H	0.194

	x	y	z	Total
	-1.780	1.319	0.000	2.215
CHELPG
AIM
ESP

	x	y	z
x	6.322	-0.295	0.000
y	-0.295	7.509	0.000
z	0.000	0.000	9.045

<r²>	175.999
(<r²>)^1/2	13.266

All results from a given calculation for CH3CFCl2 (1,1-Dichloro-1-fluoroethane)

using model chemistry: B97D3/6-31+G**

States and conformations

All results from a given calculation for CH₃CFCl₂ (1,1-Dichloro-1-fluoroethane)