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	hartrees
Energy at 0K	-75.157613
Energy at 298.15K	-75.162177
HF Energy	-75.157613
Nuclear repulsion energy	107.857643

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3313	2993	15.14
2	A'	3225	2913	7.64
3	A'	1612	1457	0.09
4	A'	1568	1417	33.12
5	A'	1358	1226	167.85
6	A'	1251	1130	207.37
7	A'	1002	906	138.33
8	A'	740	668	53.51
9	A'	581	524	21.00
10	A'	471	425	0.49
11	A'	322	291	1.26
12	A"	3331	3009	13.41
13	A"	1612	1456	1.21
14	A"	1352	1221	212.85
15	A"	1087	982	56.14
16	A"	458	414	0.09
17	A"	359	324	0.54
18	A"	261	236	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.347	0.003	0.000
C2	-0.811	1.446	0.000
Cl3	1.431	-0.142	0.000
F4	-0.811	-0.646	1.071
F5	-0.811	-0.646	-1.071
H6	-1.896	1.451	0.000
H7	-0.443	1.947	0.885
H8	-0.443	1.947	-0.885

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5159	1.7839	1.3351	1.3351	2.1203	2.1390	2.1390
C2	1.5159		2.7473	2.3496	2.3496	1.0847	1.0821	1.0821
Cl3	1.7839	2.7473		2.5353	2.5353	3.6883	2.9431	2.9431
F4	1.3351	2.3496	2.5353		2.1421	2.5918	2.6254	3.2690
F5	1.3351	2.3496	2.5353	2.1421		2.5918	3.2690	2.6254
H6	2.1203	1.0847	3.6883	2.5918	2.5918		1.7722	1.7722
H7	2.1390	1.0821	2.9431	2.6254	3.2690	1.7722		1.7709
H8	2.1390	1.0821	2.9431	3.2690	2.6254	1.7722	1.7709

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.085	C1	C2	H7	109.710
C1	C2	H8	109.710	C2	C1	Cl3	112.472
C2	C1	F4	110.837	C2	C1	F5	110.837
Cl3	C1	F4	107.886	Cl3	C1	F5	107.886
F4	C1	F5	106.685	H6	C2	H7	109.743
H6	C2	H8	109.743	H7	C2	H8	109.825

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

using model chemistry: HF/CEP-121G*

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	0.679
2	C	-0.553
3	Cl	-0.164
4	F	-0.274
5	F	-0.274
6	H	0.195
7	H	0.196
8	H	0.196

	x	y	z	Total
	-0.711	2.314	0.000	2.421
CHELPG
AIM
ESP

	x	y	z
x	6.037	-0.323	0.000
y	-0.323	4.380	0.000
z	0.000	0.000	4.173

<r²>	93.804
(<r²>)^1/2	9.685

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

using model chemistry: HF/CEP-121G*

States and conformations

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