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	hartrees
Energy at 0K	-1095.873274
Energy at 298.15K	-1095.877588
HF Energy	-1095.873274
Nuclear repulsion energy	300.441665

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3342	3003	6.24
2	A'	3243	2914	5.29
3	A'	1626	1461	2.50
4	A'	1574	1414	11.06
5	A'	1332	1197	140.60
6	A'	1240	1115	60.84
7	A'	1055	948	72.80
8	A'	639	574	29.47
9	A'	471	423	5.64
10	A'	405	364	0.72
11	A'	285	256	0.33
12	A"	3323	2986	7.47
13	A"	1622	1458	0.93
14	A"	1228	1103	125.97
15	A"	849	763	206.82
16	A"	433	389	0.09
17	A"	324	291	0.95
18	A"	293	263	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.018	0.328	0.000
C2	-1.150	1.287	0.000
F3	1.159	1.024	0.000
Cl4	0.018	-0.690	1.452
Cl5	0.018	-0.690	-1.452
H6	-2.086	0.750	0.000
H7	-1.087	1.910	0.883
H8	-1.087	1.910	-0.883

	C1	C2	F3	Cl4	Cl5	H6	H7	H8
C1		1.5111	1.3362	1.7737	1.7737	2.1464	2.1214	2.1214
C2	1.5111		2.3240	2.7173	2.7173	1.0800	1.0822	1.0822
F3	1.3362	2.3240		2.5196	2.5196	3.2573	2.5708	2.5708
Cl4	1.7737	2.7173	2.5196		2.9038	2.9346	2.8817	3.6652
Cl5	1.7737	2.7173	2.5196	2.9038		2.9346	3.6652	2.8817
H6	2.1464	1.0800	3.2573	2.9346	2.9346		1.7677	1.7677
H7	2.1214	1.0822	2.5708	2.8817	3.6652	1.7677		1.7664
H8	2.1214	1.0822	2.5708	3.6652	2.8817	1.7677	1.7664

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.764	C1	C2	H7	108.650
C1	C2	H8	108.650	C2	C1	F3	109.262
C2	C1	Cl4	111.379	C2	C1	Cl5	111.379
F3	C1	Cl4	107.388	F3	C1	Cl5	107.388
Cl4	C1	Cl5	109.879	H6	C2	H7	109.676
H6	C2	H8	109.676	H7	C2	H8	109.397

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

using model chemistry: HF/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	0.201
2	C	-0.498
3	F	-0.332
4	Cl	-0.001
5	Cl	-0.001
6	H	0.207
7	H	0.212
8	H	0.212

	x	y	z	Total
	-1.767	1.334	0.000	2.214
CHELPG
AIM
ESP

	x	y	z
x	4.488	-0.245	0.000
y	-0.245	5.715	0.000
z	0.000	0.000	7.195

<r²>	170.744
(<r²>)^1/2	13.067

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

using model chemistry: HF/6-31G*

States and conformations

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