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	hartrees
Energy at 0K	-476.311127
Energy at 298.15K	-476.315730
Nuclear repulsion energy	275.999514

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3266	3266	16.45
2	A'	1645	1645	9.26
3	A'	1611	1611	23.34
4	A'	1447	1447	218.88
5	A'	1352	1352	316.75
6	A'	1223	1223	122.87
7	A'	923	923	19.41
8	A'	726	726	44.80
9	A'	599	599	14.43
10	A'	448	448	0.89
11	A'	232	232	4.39
12	A"	3332	3332	22.66
13	A"	1464	1464	210.46
14	A"	1340	1340	68.14
15	A"	1088	1088	64.49
16	A"	584	584	4.84
17	A"	381	381	1.13
18	A"	117	117	7.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.361	0.191	0.000
C2	-1.150	0.236	0.000
F3	0.828	1.426	0.000
F4	0.828	-0.424	1.064
F5	0.828	-0.424	-1.064
F6	-1.627	-1.030	0.000
H7	-1.491	0.751	0.889
H8	-1.491	0.751	-0.889

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.5111	1.3206	1.3145	1.3145	2.3331	2.1289	2.1289
C2	1.5111		2.3086	2.3406	2.3406	1.3530	1.0832	1.0832
F3	1.3206	2.3086		2.1338	2.1338	3.4732	2.5734	2.5734
F4	1.3145	2.3406	2.1338		2.1274	2.7437	2.6053	3.2514
F5	1.3145	2.3406	2.1338	2.1274		2.7437	3.2514	2.6053
F6	2.3331	1.3530	3.4732	2.7437	2.7437		1.9962	1.9962
H7	2.1289	1.0832	2.5734	2.6053	3.2514	1.9962		1.7788
H8	2.1289	1.0832	2.5734	3.2514	2.6053	1.9962	1.7788

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.970	C1	C2	H7	109.174
C1	C2	H8	109.174	C2	C1	F3	109.043
C2	C1	F4	111.669	C2	C1	F5	111.669
F3	C1	F4	108.147	F3	C1	F5	108.147
F4	C1	F5	108.043	F6	C2	H7	109.554
F6	C2	H8	109.554	H7	C2	H8	110.391

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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