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	hartrees
Energy at 0K	-935.289445
Energy at 298.15K	-935.292664
HF Energy	-933.792823
Nuclear repulsion energy	422.222243

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3175	3021	5.15
2	A	1420	1351	38.76
3	A	1336	1271	86.29
4	A	1318	1254	80.60
5	A	1241	1181	275.40
6	A	1194	1136	222.44
7	A	1137	1082	104.91
8	A	910	865	82.52
9	A	837	797	34.17
10	A	707	672	34.39
11	A	581	553	3.66
12	A	537	511	7.29
13	A	458	436	1.89
14	A	384	365	0.38
15	A	325	310	0.81
16	A	240	228	2.31
17	A	189	180	1.39
18	A	77	73	0.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.451	0.482	-0.466
C2	-0.856	-0.170	-0.000
H3	0.450	0.546	-1.550
F4	0.529	1.722	0.070
Cl5	1.830	-0.488	0.022
F6	-0.904	-0.281	1.320
F7	-1.875	0.590	-0.404
F8	-0.987	-1.377	-0.546

	C1	C2	H3	F4	Cl5	F6	F7	F8
C1		1.5328	1.0861	1.3529	1.7553	2.3679	2.3291	2.3517
C2	1.5328		2.1491	2.3459	2.7045	1.3256	1.3340	1.3314
H3	1.0861	2.1491		2.0037	2.3335	3.2791	2.5924	2.6017
F4	1.3529	2.3459	2.0037		2.5648	2.7620	2.6990	3.5047
Cl5	1.7553	2.7045	2.3335	2.5648		3.0333	3.8819	3.0078
F6	2.3679	1.3256	3.2791	2.7620	3.0333		2.1615	2.1658
F7	2.3291	1.3340	2.5924	2.6990	3.8819	2.1615		2.1635
F8	2.3517	1.3314	2.6017	3.5047	3.0078	2.1658	2.1635

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	111.662	C1	C2	F7	108.472
C1	C2	F8	110.184	C2	C1	H3	109.099
C2	C1	F4	108.604	C2	C1	Cl5	110.492
H3	C1	F4	109.987	H3	C1	Cl5	108.100
F4	C1	Cl5	110.545	F6	C2	F7	108.727
F6	C2	F8	109.202	F7	C2	F8	108.526

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

using model chemistry: MP2/Def2TZVPP

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: MP2/Def2TZVPP

States and conformations

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