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	hartrees
Energy at 0K	-728.902413
Energy at 298.15K	-728.905914
HF Energy	-728.902413
Nuclear repulsion energy	231.147603

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3379	3126	0.11
2	A'	3213	2973	1.15
3	A'	1602	1483	1.87
4	A'	1478	1367	3.24
5	A'	1242	1149	117.85
6	A'	1108	1025	74.58
7	A'	868	803	61.66
8	A'	616	570	50.40
9	A'	475	439	9.91
10	A'	369	342	4.73
11	A'	254	235	1.35
12	A"	3397	3143	0.49
13	A"	1600	1480	0.66
14	A"	1337	1237	115.62
15	A"	1006	930	4.26
16	A"	377	348	0.62
17	A"	271	250	1.58
18	A"	155	144	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.436	-0.038	0.000
C2	-0.867	1.499	0.000
Cl3	1.549	-0.081	0.000
F4	-0.867	-0.719	1.139
F5	-0.867	-0.719	-1.139
H6	-1.976	1.571	0.000
H7	-0.461	1.993	0.905
H8	-0.461	1.993	-0.905

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5966	1.9853	1.3952	1.3952	2.2275	2.2236	2.2236
C2	1.5966		2.8868	2.4934	2.4934	1.1106	1.1079	1.1079
Cl3	1.9853	2.8868		2.7466	2.7466	3.8925	3.0261	3.0261
F4	1.3952	2.4934	2.7466		2.2771	2.7878	2.7525	3.4200
F5	1.3952	2.4934	2.7466	2.2771		2.7878	3.4200	2.7525
H6	2.2275	1.1106	3.8925	2.7878	2.7878		1.8138	1.8138
H7	2.2236	1.1079	3.0261	2.7525	3.4200	1.8138		1.8091
H8	2.2236	1.1079	3.0261	3.4200	2.7525	1.8138	1.8091

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.424	C1	C2	H7	109.277
C1	C2	H8	109.277	C2	C1	Cl3	106.902
C2	C1	F4	112.731	C2	C1	F5	112.731
Cl3	C1	F4	107.393	Cl3	C1	F5	107.393
F4	C1	F5	109.382	H6	C2	H7	109.691
H6	C2	H8	109.691	H7	C2	H8	109.466

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

using model chemistry: BLYP/STO-3G

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	0.225
2	C	-0.226
3	Cl	-0.240
4	F	-0.027
5	F	-0.027
6	H	0.091
7	H	0.102
8	H	0.102

	x	y	z	Total
	-2.759	0.951	0.000	2.918
CHELPG
AIM
ESP

	x	y	z
x	4.212	-0.074	0.000
y	-0.074	2.110	0.000
z	0.000	0.000	2.175

<r²>	142.463
(<r²>)^1/2	11.936

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

using model chemistry: BLYP/STO-3G

States and conformations

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