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	hartrees
Energy at 0K	-737.018345
Energy at 298.15K	-737.022741
HF Energy	-735.990693
Nuclear repulsion energy	246.227874

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3209	3047	2.52
2	A'	3108	2951	1.03
3	A'	1497	1422	0.28
4	A'	1426	1354	46.54
5	A'	1263	1199	109.47
6	A'	1151	1092	189.53
7	A'	927	880	99.04
8	A'	694	659	49.15
9	A'	551	523	13.21
10	A'	442	420	0.91
11	A'	307	292	1.10
12	A"	3224	3061	0.97
13	A"	1496	1420	2.32
14	A"	1228	1166	164.36
15	A"	991	941	44.48
16	A"	436	414	0.01
17	A"	337	320	0.43
18	A"	258	245	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.347	-0.000	0.000
C2	-0.810	1.426	0.000
Cl3	1.429	-0.121	0.000
F4	-0.810	-0.654	1.082
F5	-0.810	-0.654	-1.082
H6	-1.897	1.431	0.000
H7	-0.438	1.927	0.887
H8	-0.438	1.927	-0.887

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.4991	1.7797	1.3463	1.3463	2.1091	2.1239	2.1239
C2	1.4991		2.7208	2.3449	2.3449	1.0871	1.0849	1.0849
Cl3	1.7797	2.7208		2.5424	2.5424	3.6695	2.9100	2.9100
F4	1.3463	2.3449	2.5424		2.1639	2.5885	2.6157	3.2683
F5	1.3463	2.3449	2.5424	2.1639		2.5885	3.2683	2.6157
H6	2.1091	1.0871	3.6695	2.5885	2.5885		1.7782	1.7782
H7	2.1239	1.0849	2.9100	2.6157	3.2683	1.7782		1.7747
H8	2.1239	1.0849	2.9100	3.2683	2.6157	1.7782	1.7747

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.220	C1	C2	H7	109.514
C1	C2	H8	109.514	C2	C1	Cl3	111.869
C2	C1	F4	110.876	C2	C1	F5	110.876
Cl3	C1	F4	108.036	Cl3	C1	F5	108.036
F4	C1	F5	106.957	H6	C2	H7	109.907
H6	C2	H8	109.907	H7	C2	H8	109.755

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

using model chemistry: MP2/cc-pVTZ

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-pVTZ

States and conformations

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