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	hartrees
Energy at 0K	-732.831221
Energy at 298.15K	-732.835508
HF Energy	-732.259488
Nuclear repulsion energy	241.676249

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3209	3042	2.04
2	A'	3127	2965	0.56
3	A'	1581	1499	2.09
4	A'	1515	1436	24.29
5	A'	1262	1196	140.43
6	A'	1189	1127	124.80
7	A'	909	862	125.20
8	A'	640	607	77.88
9	A'	517	490	19.34
10	A'	411	390	2.39
11	A'	310	294	0.44
12	A"	3232	3064	0.96
13	A"	1585	1502	4.36
14	A"	1307	1239	116.12
15	A"	1048	993	34.41
16	A"	406	385	0.76
17	A"	323	306	0.99
18	A"	271	257	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.352	-0.001	0.000
C2	-0.821	1.434	0.000
Cl3	1.449	-0.111	0.000
F4	-0.821	-0.669	1.122
F5	-0.821	-0.669	-1.122
H6	-1.914	1.436	0.000
H7	-0.454	1.939	0.893
H8	-0.454	1.939	-0.893

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5097	1.8046	1.3871	1.3871	2.1225	2.1381	2.1381
C2	1.5097		2.7457	2.3833	2.3833	1.0931	1.0895	1.0895
Cl3	1.8046	2.7457		2.5929	2.5929	3.7018	2.9359	2.9359
F4	1.3871	2.3833	2.5929		2.2437	2.6238	2.6435	3.3158
F5	1.3871	2.3833	2.5929	2.2437		2.6238	3.3158	2.6435
H6	2.1225	1.0931	3.7018	2.6238	2.6238		1.7838	1.7838
H7	2.1381	1.0895	2.9359	2.6435	3.3158	1.7838		1.7857
H8	2.1381	1.0895	2.9359	3.3158	2.6435	1.7838	1.7857

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.204	C1	C2	H7	109.636
C1	C2	H8	109.636	C2	C1	Cl3	111.570
C2	C1	F4	110.649	C2	C1	F5	110.649
Cl3	C1	F4	107.943	Cl3	C1	F5	107.943
F4	C1	F5	107.951	H6	C2	H7	109.633
H6	C2	H8	109.633	H7	C2	H8	110.071

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

using model chemistry: MP2=FULL/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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All results from a given calculation for CH3CF2Cl (1-Chloro-1,1-Difluoroethane)

using model chemistry: MP2=FULL/3-21G*

States and conformations

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