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	hartrees
Energy at 0K	-1098.269480
Energy at 298.15K	-1098.273582
HF Energy	-1098.269480
Nuclear repulsion energy	298.202058

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3183	3045	2.27
2	A'	3076	2943	1.82
3	A'	1478	1414	4.58
4	A'	1427	1365	19.62
5	A'	1205	1153	122.96
6	A'	1145	1096	83.24
7	A'	956	914	79.68
8	A'	600	574	28.56
9	A'	442	423	3.55
10	A'	387	370	1.94
11	A'	268	257	0.11
12	A"	3163	3026	3.58
13	A"	1480	1416	1.42
14	A"	1116	1067	127.98
15	A"	759	726	195.07
16	A"	405	387	1.51
17	A"	301	288	1.04
18	A"	277	265	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.021	0.337	0.000
C2	-1.165	1.273	0.000
F3	1.165	1.050	0.000
Cl4	0.021	-0.695	1.462
Cl5	0.021	-0.695	-1.462
H6	-2.100	0.714	0.000
H7	-1.115	1.901	0.891
H8	-1.115	1.901	-0.891

	C1	C2	F3	Cl4	Cl5	H6	H7	H8
C1		1.5109	1.3477	1.7898	1.7898	2.1537	2.1275	2.1275
C2	1.5109		2.3410	2.7236	2.7236	1.0890	1.0908	1.0908
F3	1.3477	2.3410		2.5477	2.5477	3.2819	2.5910	2.5910
Cl4	1.7898	2.7236	2.5477		2.9240	2.9357	2.8902	3.6826
Cl5	1.7898	2.7236	2.5477	2.9240		2.9357	3.6826	2.8902
H6	2.1537	1.0890	3.2819	2.9357	2.9357		1.7812	1.7812
H7	2.1275	1.0908	2.5910	2.8902	3.6826	1.7812		1.7813
H8	2.1275	1.0908	2.5910	3.6826	2.8902	1.7812	1.7813

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.827	C1	C2	H7	108.647
C1	C2	H8	108.647	C2	C1	F3	109.828
C2	C1	Cl4	110.926	C2	C1	Cl5	110.926
F3	C1	Cl4	107.756	F3	C1	Cl5	107.756
Cl4	C1	Cl5	109.543	H6	C2	H7	109.608
H6	C2	H8	109.608	H7	C2	H8	109.479

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

using model chemistry: wB97X-D/6-311G**

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	-0.015
2	C	-0.269
3	F	-0.177
4	Cl	-0.011
5	Cl	-0.011
6	H	0.162
7	H	0.161
8	H	0.161

	x	y	z	Total
	-1.793	1.376	0.000	2.260
CHELPG
AIM
ESP

	x	y	z
x	4.872	-0.417	0.000
y	-0.417	6.362	0.000
z	0.000	0.000	7.951

<r²>	172.784
(<r²>)^1/2	13.145

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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