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	hartrees
Energy at 0K	-472.735345
Energy at 298.15K	-472.739292
Nuclear repulsion energy	267.230446

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3158	3004	7.85
2	A'	1614	1535	2.94
3	A'	1506	1433	1.75
4	A'	1338	1273	167.81
5	A'	1255	1193	199.84
6	A'	1111	1057	30.90
7	A'	832	792	12.39
8	A'	637	606	32.01
9	A'	530	504	17.54
10	A'	397	378	1.27
11	A'	197	187	4.45
12	A"	3213	3056	12.70
13	A"	1410	1341	105.34
14	A"	1247	1186	54.10
15	A"	1052	1001	48.99
16	A"	512	487	6.67
17	A"	337	320	0.87
18	A"	115	109	6.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.358	0.193	0.000
C2	-1.149	0.258	0.000
F3	0.841	1.487	0.000
F4	0.841	-0.450	1.113
F5	0.841	-0.450	-1.113
F6	-1.669	-1.064	0.000
H7	-1.470	0.794	0.892
H8	-1.470	0.794	-0.892

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.5088	1.3804	1.3730	1.3730	2.3852	2.1212	2.1212
C2	1.5088		2.3391	2.3876	2.3876	1.4199	1.0890	1.0890
F3	1.3804	2.3391		2.2334	2.2334	3.5782	2.5724	2.5724
F4	1.3730	2.3876	2.2334		2.2254	2.8133	2.6344	3.3028
F5	1.3730	2.3876	2.2334	2.2254		2.8133	3.3028	2.6344
F6	2.3852	1.4199	3.5782	2.8133	2.8133		2.0704	2.0704
H7	2.1212	1.0890	2.5724	2.6344	3.3028	2.0704		1.7832
H8	2.1212	1.0890	2.5724	3.3028	2.6344	2.0704	1.7832

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.024	C1	C2	H7	108.397
C1	C2	H8	108.397	C2	C1	F3	108.035
C2	C1	F4	111.802	C2	C1	F5	111.802
F3	C1	F4	108.414	F3	C1	F5	108.414
F4	C1	F5	108.267	F6	C2	H7	110.526
F6	C2	H8	110.526	H7	C2	H8	109.912

All results from a given calculation for CF₃CH₂F (1,1,1,2-tetrafluoroethane)

using model chemistry: MP2/3-21G*

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 CF3CH2F (1,1,1,2-tetrafluoroethane)

using model chemistry: MP2/3-21G*

States and conformations

All results from a given calculation for CF₃CH₂F (1,1,1,2-tetrafluoroethane)