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	hartrees
Energy at 0K	-936.394171
Energy at 298.15K	-936.397267
HF Energy	-936.394171
Nuclear repulsion energy	420.323221

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3111	3002	8.39
2	A	1393	1345	29.44
3	A	1305	1260	70.40
4	A	1298	1253	99.20
5	A	1233	1190	241.59
6	A	1176	1135	199.34
7	A	1139	1099	94.79
8	A	879	848	52.74
9	A	805	777	63.11
10	A	696	672	37.70
11	A	572	552	4.62
12	A	527	509	7.09
13	A	445	430	1.94
14	A	371	358	0.07
15	A	316	305	0.83
16	A	232	224	2.19
17	A	182	175	1.31
18	A	67	64	0.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.443	0.491	-0.472
C2	-0.862	-0.175	-0.001
H3	0.452	0.558	-1.562
F4	0.508	1.722	0.072
Cl5	1.857	-0.479	0.023
F6	-0.901	-0.301	1.320
F7	-1.890	0.587	-0.386
F8	-0.996	-1.377	-0.560

	C1	C2	H3	F4	Cl5	F6	F7	F8
C1		1.5384	1.0919	1.3472	1.7850	2.3751	2.3367	2.3590
C2	1.5384		2.1673	2.3409	2.7359	1.3275	1.3368	1.3323
H3	1.0919	2.1673		2.0072	2.3580	3.2967	2.6209	2.6152
F4	1.3472	2.3409	2.0072		2.5815	2.7626	2.6929	3.5018
Cl5	1.7850	2.7359	2.3580	2.5815		3.0523	3.9176	3.0467
F6	2.3751	1.3275	3.2967	2.7626	3.0523		2.1631	2.1680
F7	2.3367	1.3368	2.6209	2.6929	3.9176	2.1631		2.1653
F8	2.3590	1.3323	2.6152	3.5018	3.0467	2.1680	2.1653

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	111.730	C1	C2	F7	108.517
C1	C2	F8	110.319	C2	C1	H3	109.804
C2	C1	F4	108.254	C2	C1	Cl5	110.593
H3	C1	F4	110.323	H3	C1	Cl5	107.643
F4	C1	Cl5	110.230	F6	C2	F7	108.561
F6	C2	F8	109.199	F7	C2	F8	108.439

All results from a given calculation for CF₃CHFCl (1,1,1,2-tetrafluorochloroethane)

using model chemistry: B3LYP/6-31G(2df,p)

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 CF3CHFCl (1,1,1,2-tetrafluorochloroethane)

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

All results from a given calculation for CF₃CHFCl (1,1,1,2-tetrafluorochloroethane)