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	hartrees
Energy at 0K	-1096.012370
Energy at 298.15K	-1096.016677
HF Energy	-1096.012370
Nuclear repulsion energy	301.066306

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3293	2985	5.97
2	A'	3198	2899	5.51
3	A'	1601	1451	3.30
4	A'	1548	1403	11.65
5	A'	1309	1186	131.45
6	A'	1224	1109	57.62
7	A'	1038	941	70.93
8	A'	635	575	25.17
9	A'	471	427	3.87
10	A'	404	366	1.29
11	A'	280	254	0.21
12	A"	3274	2967	9.19
13	A"	1598	1449	0.94
14	A"	1210	1097	112.83
15	A"	834	756	185.93
16	A"	432	392	0.36
17	A"	319	289	1.20
18	A"	288	261	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.020	0.334	0.000
C2	-1.154	1.281	0.000
F3	1.157	1.025	0.000
Cl4	0.020	-0.689	1.445
Cl5	0.020	-0.689	-1.445
H6	-2.080	0.729	0.000
H7	-1.098	1.901	0.883
H8	-1.098	1.901	-0.883

	C1	C2	F3	Cl4	Cl5	H6	H7	H8
C1		1.5079	1.3309	1.7706	1.7706	2.1364	2.1180	2.1180
C2	1.5079		2.3251	2.7106	2.7106	1.0783	1.0807	1.0807
F3	1.3309	2.3251		2.5139	2.5139	3.2506	2.5759	2.5759
Cl4	1.7706	2.7106	2.5139		2.8897	2.9169	2.8767	3.6580
Cl5	1.7706	2.7106	2.5139	2.8897		2.9169	3.6580	2.8767
H6	2.1364	1.0783	3.2506	2.9169	2.9169		1.7657	1.7657
H7	2.1180	1.0807	2.5759	2.8767	3.6580	1.7657		1.7669
H8	2.1180	1.0807	2.5759	3.6580	2.8767	1.7657	1.7669

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.297	C1	C2	H7	108.687
C1	C2	H8	108.687	C2	C1	F3	109.822
C2	C1	Cl4	111.289	C2	C1	Cl5	111.289
F3	C1	Cl4	107.457	F3	C1	Cl5	107.457
Cl4	C1	Cl5	109.379	H6	C2	H7	109.742
H6	C2	H8	109.742	H7	C2	H8	109.663

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

using model chemistry: HF/Def2TZVPP

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	0.390
2	C	-0.195
3	F	-0.224
4	Cl	-0.109
5	Cl	-0.109
6	H	0.083
7	H	0.082
8	H	0.082

	x	y	z	Total
	-1.731	1.239	0.000	2.129
CHELPG
AIM
ESP

	x	y	z
x	5.773	-0.314	0.000
y	-0.314	6.816	0.000
z	0.000	0.000	8.111

<r²>	169.999
(<r²>)^1/2	13.038

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

using model chemistry: HF/Def2TZVPP

States and conformations

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