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	hartrees
Energy at 0K	-735.998295
Energy at 298.15K	-736.002897
HF Energy	-735.998295
Nuclear repulsion energy	248.248856

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3277	2970	9.73
2	A'	3199	2899	5.20
3	A'	1599	1450	0.20
4	A'	1555	1410	33.34
5	A'	1356	1229	154.76
6	A'	1240	1124	198.08
7	A'	996	903	126.00
8	A'	739	670	56.11
9	A'	590	535	19.00
10	A'	471	427	0.93
11	A'	328	297	1.45
12	A"	3294	2986	7.14
13	A"	1599	1450	1.85
14	A"	1349	1223	193.13
15	A"	1085	983	45.65
16	A"	465	422	0.00
17	A"	364	330	0.47
18	A"	266	241	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.345	0.004	0.000
C2	-0.806	1.434	0.000
Cl3	1.422	-0.142	0.000
F4	-0.806	-0.640	1.060
F5	-0.806	-0.640	-1.060
H6	-1.887	1.438	0.000
H7	-0.439	1.935	0.883
H8	-0.439	1.935	-0.883

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5023	1.7729	1.3227	1.3227	2.1063	2.1252	2.1252
C2	1.5023		2.7284	2.3287	2.3287	1.0819	1.0790	1.0790
Cl3	1.7729	2.7284		2.5163	2.5163	3.6672	2.9251	2.9251
F4	1.3227	2.3287	2.5163		2.1200	2.5714	2.6064	3.2459
F5	1.3227	2.3287	2.5163	2.1200		2.5714	3.2459	2.6064
H6	2.1063	1.0819	3.6672	2.5714	2.5714		1.7670	1.7670
H7	2.1252	1.0790	2.9251	2.6064	3.2459	1.7670		1.7654
H8	2.1252	1.0790	2.9251	3.2459	2.6064	1.7670	1.7654

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.083	C1	C2	H7	109.752
C1	C2	H8	109.752	C2	C1	Cl3	112.567
C2	C1	F4	110.879	C2	C1	F5	110.879
Cl3	C1	F4	107.870	Cl3	C1	F5	107.870
F4	C1	F5	106.521	H6	C2	H7	109.720
H6	C2	H8	109.720	H7	C2	H8	109.790

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

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	0.547
2	C	-0.189
3	Cl	-0.128
4	F	-0.236
5	F	-0.236
6	H	0.080
7	H	0.081
8	H	0.081

	x	y	z	Total
	-0.686	2.186	0.000	2.291
CHELPG
AIM
ESP

	x	y	z
x	6.281	-0.360	0.000
y	-0.360	4.872	0.000
z	0.000	0.000	4.657

<r²>	127.876
(<r²>)^1/2	11.308

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

using model chemistry: HF/Def2TZVPP

States and conformations

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