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	hartrees
Energy at 0K	-736.666851
Energy at 298.15K	-736.671234
HF Energy	-735.879981
Nuclear repulsion energy	244.717134

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3227	3074	2.70
2	A'	3116	2968	1.63
3	A'	1479	1409	0.23
4	A'	1422	1355	55.85
5	A'	1269	1209	120.92
6	A'	1149	1094	197.31
7	A'	924	880	104.31
8	A'	689	656	52.79
9	A'	549	523	15.59
10	A'	440	419	0.92
11	A'	309	294	0.86
12	A"	3243	3089	1.32
13	A"	1480	1409	1.53
14	A"	1241	1182	188.10
15	A"	988	941	41.00
16	A"	434	413	0.03
17	A"	337	321	0.55
18	A"	261	249	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.350	-0.002	0.000
C2	-0.814	1.432	0.000
Cl3	1.438	-0.121	0.000
F4	-0.814	-0.658	1.089
F5	-0.814	-0.658	-1.089
H6	-1.915	1.436	0.000
H7	-0.441	1.941	0.899
H8	-0.441	1.941	-0.899

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5066	1.7919	1.3532	1.3532	2.1249	2.1425	2.1425
C2	1.5066		2.7357	2.3560	2.3560	1.1007	1.0983	1.0983
Cl3	1.7919	2.7357		2.5584	2.5584	3.6968	2.9313	2.9313
F4	1.3532	2.3560	2.5584		2.1772	2.6037	2.6325	3.2928
F5	1.3532	2.3560	2.5584	2.1772		2.6037	3.2928	2.6325
H6	2.1249	1.1007	3.6968	2.6037	2.6037		1.7986	1.7986
H7	2.1425	1.0983	2.9313	2.6325	3.2928	1.7986		1.7971
H8	2.1425	1.0983	2.9313	3.2928	2.6325	1.7986	1.7971

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.156	C1	C2	H7	109.674
C1	C2	H8	109.674	C2	C1	Cl3	111.777
C2	C1	F4	110.828	C2	C1	F5	110.828
Cl3	C1	F4	108.055	Cl3	C1	F5	108.055
F4	C1	F5	107.120	H6	C2	H7	109.756
H6	C2	H8	109.756	H7	C2	H8	109.802

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

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

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