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	hartrees
Energy at 0K	-75.911514
Energy at 298.15K	-75.915878
HF Energy	-75.155483
Nuclear repulsion energy	106.505623

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3213	3061	4.79
2	A'	3101	2955	1.92
3	A'	1519	1448	0.67
4	A'	1459	1390	41.00
5	A'	1254	1195	118.67
6	A'	1176	1120	187.56
7	A'	925	881	128.69
8	A'	693	660	43.00
9	A'	538	513	14.13
10	A'	440	419	0.48
11	A'	306	292	1.24
12	A"	3226	3074	3.42
13	A"	1518	1447	3.64
14	A"	1222	1165	158.13
15	A"	988	941	75.59
16	A"	431	410	0.01
17	A"	333	317	0.50
18	A"	268	256	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.342	0.008	0.000
C2	-0.818	1.447	0.000
Cl3	1.440	-0.130	0.000
F4	-0.818	-0.659	1.096
F5	-0.818	-0.659	-1.096
H6	-1.911	1.441	0.000
H7	-0.446	1.951	0.893
H8	-0.446	1.951	-0.893

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5155	1.7871	1.3690	1.3690	2.1248	2.1406	2.1406
C2	1.5155		2.7544	2.3744	2.3744	1.0930	1.0909	1.0909
Cl3	1.7871	2.7544		2.5652	2.5652	3.7010	2.9471	2.9471
F4	1.3690	2.3744	2.5652		2.1925	2.6089	2.6442	3.3028
F5	1.3690	2.3744	2.5652	2.1925		2.6089	3.3028	2.6442
H6	2.1248	1.0930	3.7010	2.6089	2.6089		1.7901	1.7901
H7	2.1406	1.0909	2.9471	2.6442	3.3028	1.7901		1.7864
H8	2.1406	1.0909	2.9471	3.3028	2.6442	1.7901	1.7864

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	107.994	C1	C2	H7	109.343
C1	C2	H8	109.343	C2	C1	Cl3	112.767
C2	C1	F4	110.701	C2	C1	F5	110.701
Cl3	C1	F4	108.002	Cl3	C1	F5	108.002
F4	C1	F5	106.408	H6	C2	H7	110.103
H6	C2	H8	110.103	H7	C2	H8	109.921

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

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

using model chemistry: MP2/CEP-121G*

States and conformations

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