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	hartrees
Energy at 0K	-75.150342
Energy at 298.15K	-75.154885
HF Energy	-75.150342
Nuclear repulsion energy	107.710447

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3349	3007	21.79
2	A'	3263	2930	12.71
3	A'	1609	1445	0.13
4	A'	1568	1408	33.61
5	A'	1366	1226	166.24
6	A'	1253	1125	222.75
7	A'	1006	903	131.93
8	A'	741	665	55.71
9	A'	580	521	22.53
10	A'	471	423	0.57
11	A'	321	288	1.09
12	A"	3366	3023	21.51
13	A"	1610	1446	0.65
14	A"	1357	1219	238.31
15	A"	1086	976	51.46
16	A"	456	410	0.16
17	A"	358	322	0.61
18	A"	261	235	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.346	0.001	0.000
C2	-0.812	1.450	0.000
Cl3	1.432	-0.144	0.000
F4	-0.812	-0.646	1.072
F5	-0.812	-0.646	-1.072
H6	-1.901	1.453	0.000
H7	-0.442	1.952	0.890
H8	-0.442	1.952	-0.890

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5220	1.7845	1.3355	1.3355	2.1269	2.1464	2.1464
C2	1.5220		2.7525	2.3540	2.3540	1.0892	1.0867	1.0867
Cl3	1.7845	2.7525		2.5369	2.5369	3.6958	2.9488	2.9488
F4	1.3355	2.3540	2.5369		2.1436	2.5958	2.6301	3.2762
F5	1.3355	2.3540	2.5369	2.1436		2.5958	3.2762	2.6301
H6	2.1269	1.0892	3.6958	2.5958	2.5958		1.7808	1.7808
H7	2.1464	1.0867	2.9488	2.6301	3.2762	1.7808		1.7800
H8	2.1464	1.0867	2.9488	3.2762	2.6301	1.7808	1.7800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	107.937	C1	C2	H7	109.598
C1	C2	H8	109.598	C2	C1	Cl3	112.463
C2	C1	F4	110.766	C2	C1	F5	110.766
Cl3	C1	F4	107.935	Cl3	C1	F5	107.935
F4	C1	F5	106.747	H6	C2	H7	109.854
H6	C2	H8	109.854	H7	C2	H8	109.968

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

using model chemistry: HF/CEP-31G*

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	0.335
2	C	-0.234
3	Cl	-0.126
4	F	-0.200
5	F	-0.200
6	H	0.141
7	H	0.143
8	H	0.143

	x	y	z	Total
	-0.710	2.354	0.000	2.459
CHELPG
AIM
ESP

	x	y	z
x	5.761	-0.292	0.000
y	-0.292	3.973	0.000
z	0.000	0.000	3.654

<r²>	93.996
(<r²>)^1/2	9.695

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

using model chemistry: HF/CEP-31G*

States and conformations

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