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	hartrees
Energy at 0K	-733.693028
Energy at 298.15K	-733.697041
HF Energy	-733.693028
Nuclear repulsion energy	236.725593

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3102	3074	1.58
2	A'	3017	2989	1.82
3	A'	1496	1482	1.88
4	A'	1429	1416	34.63
5	A'	1234	1223	157.18
6	A'	1114	1104	137.12
7	A'	861	853	107.52
8	A'	592	586	88.35
9	A'	492	488	24.28
10	A'	354	351	14.23
11	A'	278	276	0.15
12	A"	3134	3106	0.33
13	A"	1499	1486	1.60
14	A"	1261	1249	160.54
15	A"	1000	990	22.22
16	A"	373	370	0.34
17	A"	283	281	1.61
18	A"	256	253	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	-0.428	-0.018	0.000
C2	-0.849	1.426	0.000
Cl3	1.518	-0.075	0.000
F4	-0.849	-0.694	1.122
F5	-0.849	-0.694	-1.122
H6	-1.952	1.477	0.000
H7	-0.460	1.923	0.899
H8	-0.460	1.923	-0.899

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5035	1.9473	1.3761	1.3761	2.1340	2.1388	2.1388
C2	1.5035		2.8031	2.3984	2.3984	1.1040	1.0982	1.0982
Cl3	1.9473	2.8031		2.6917	2.6917	3.8013	2.9520	2.9520
F4	1.3761	2.3984	2.6917		2.2442	2.6808	2.6552	3.3291
F5	1.3761	2.3984	2.6917	2.2442		2.6808	3.3291	2.6552
H6	2.1340	1.1040	3.8013	2.6808	2.6808		1.7979	1.7979
H7	2.1388	1.0982	2.9520	2.6552	3.3291	1.7979		1.7971
H8	2.1388	1.0982	2.9520	3.3291	2.6552	1.7979	1.7971

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.888	C1	C2	H7	109.606
C1	C2	H8	109.606	C2	C1	Cl3	107.954
C2	C1	F4	112.725	C2	C1	F5	112.725
Cl3	C1	F4	106.917	Cl3	C1	F5	106.917
F4	C1	F5	109.262	H6	C2	H7	109.458
H6	C2	H8	109.458	H7	C2	H8	109.808

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

using model chemistry: PBEPBE/3-21G

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	0.352
2	C	-0.649
3	Cl	-0.055
4	F	-0.210
5	F	-0.210
6	H	0.254
7	H	0.260
8	H	0.260

	x	y	z	Total
	-2.020	2.015	0.000	2.853
CHELPG
AIM
ESP

	x	y	z
x	6.366	-0.338	0.000
y	-0.338	3.613	0.000
z	0.000	0.000	3.543

<r²>	138.478
(<r²>)^1/2	11.768

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

using model chemistry: PBEPBE/3-21G

States and conformations

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