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	hartrees
Energy at 0K	-737.865966
Energy at 298.15K	-737.870296
HF Energy	-737.865966
Nuclear repulsion energy	245.410651

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3197	3043	2.38
2	A'	3102	2952	1.48
3	A'	1489	1417	0.89
4	A'	1432	1363	46.53
5	A'	1251	1191	127.26
6	A'	1145	1090	201.39
7	A'	918	873	115.25
8	A'	686	653	57.97
9	A'	541	515	14.48
10	A'	435	414	1.34
11	A'	304	290	1.48
12	A"	3212	3057	1.22
13	A"	1487	1415	3.02
14	A"	1218	1159	192.35
15	A"	982	935	55.66
16	A"	432	412	0.06
17	A"	334	318	0.51
18	A"	251	239	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.346	0.008	0.000
C2	-0.812	1.436	0.000
Cl3	1.433	-0.133	0.000
F4	-0.812	-0.651	1.084
F5	-0.812	-0.651	-1.084
H6	-1.904	1.441	0.000
H7	-0.444	1.945	0.890
H8	-0.444	1.945	-0.890

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5014	1.7854	1.3518	1.3518	2.1162	2.1332	2.1332
C2	1.5014		2.7395	2.3519	2.3519	1.0916	1.0894	1.0894
Cl3	1.7854	2.7395		2.5468	2.5468	3.6900	2.9384	2.9384
F4	1.3518	2.3519	2.5468		2.1680	2.5973	2.6292	3.2820
F5	1.3518	2.3519	2.5468	2.1680		2.5973	3.2820	2.6292
H6	2.1162	1.0916	3.6900	2.5973	2.5973		1.7824	1.7824
H7	2.1332	1.0894	2.9384	2.6292	3.2820	1.7824		1.7801
H8	2.1332	1.0894	2.9384	3.2820	2.6292	1.7824	1.7801

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.362	C1	C2	H7	109.823
C1	C2	H8	109.823	C2	C1	Cl3	112.629
C2	C1	F4	110.923	C2	C1	F5	110.923
Cl3	C1	F4	107.743	Cl3	C1	F5	107.743
F4	C1	F5	106.619	H6	C2	H7	109.620
H6	C2	H8	109.620	H7	C2	H8	109.575

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

using model chemistry: mPW1PW91/6-31+G**

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	0.246
2	C	-0.505
3	Cl	0.066
4	F	-0.216
5	F	-0.216
6	H	0.206
7	H	0.209
8	H	0.209

	x	y	z	Total
	-0.658	2.269	0.000	2.362
CHELPG
AIM
ESP

	x	y	z
x	6.695	-0.307	0.000
y	-0.307	5.113	0.000
z	0.000	0.000	4.908

<r²>	130.056
(<r²>)^1/2	11.404

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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