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	hartrees
Energy at 0K	-936.610132
Energy at 298.15K	-936.613233
HF Energy	-936.610132
Nuclear repulsion energy	418.828339

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3118	3017	4.78
2	A	1381	1336	26.15
3	A	1297	1255	8.11
4	A	1274	1233	150.23
5	A	1182	1144	270.85
6	A	1145	1108	242.42
7	A	1099	1063	107.14
8	A	868	839	68.94
9	A	801	775	59.96
10	A	690	668	36.02
11	A	565	546	4.14
12	A	521	504	6.45
13	A	443	429	1.70
14	A	370	358	0.12
15	A	316	306	0.86
16	A	236	228	2.03
17	A	184	178	1.18
18	A	71	69	0.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.456	0.482	-0.460
C2	-0.869	-0.169	-0.001
H3	0.459	0.553	-1.545
F4	0.538	1.727	0.073
Cl5	1.860	-0.492	0.023
F6	-0.932	-0.288	1.324
F7	-1.888	0.599	-0.408
F8	-1.008	-1.378	-0.554

	C1	C2	H3	F4	Cl5	F6	F7	F8
C1		1.5456	1.0882	1.3567	1.7764	2.3871	2.3470	2.3693
C2	1.5456		2.1611	2.3627	2.7478	1.3312	1.3400	1.3371
H3	1.0882	2.1611		2.0013	2.3490	3.2975	2.6081	2.6201
F4	1.3567	2.3627	2.0013		2.5838	2.7906	2.7188	3.5257
Cl5	1.7764	2.7478	2.3490	2.5838		3.0865	3.9274	3.0568
F6	2.3871	1.3312	3.2975	2.7906	3.0865		2.1682	2.1727
F7	2.3470	1.3400	2.6081	2.7188	3.9274	2.1682		2.1694
F8	2.3693	1.3371	2.6201	3.5257	3.0568	2.1727	2.1694

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	111.938	C1	C2	F7	108.640
C1	C2	F8	110.345	C2	C1	H3	109.040
C2	C1	F4	108.824	C2	C1	Cl5	111.427
H3	C1	F4	109.390	H3	C1	Cl5	107.733
F4	C1	Cl5	110.395	F6	C2	F7	108.532
F6	C2	F8	109.035	F7	C2	F8	108.263

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

using model chemistry: B3LYP/aug-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 CF3CHFCl (1,1,1,2-tetrafluorochloroethane)

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

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