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	hartrees
Energy at 0K	-475.600867
Energy at 298.15K	-475.604947
Nuclear repulsion energy	272.097645

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3125	2958	11.42
2	A'	1559	1476	5.88
3	A'	1514	1433	28.86
4	A'	1375	1301	150.41
5	A'	1277	1209	249.77
6	A'	1161	1099	75.03
7	A'	875	828	18.24
8	A'	676	640	33.76
9	A'	556	526	10.68
10	A'	417	395	0.84
11	A'	219	207	3.38
12	A"	3190	3019	14.13
13	A"	1383	1309	169.48
14	A"	1256	1188	42.68
15	A"	1027	972	49.85
16	A"	537	508	3.29
17	A"	360	341	1.37
18	A"	114	108	5.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.355	0.197	0.000
C2	-1.155	0.239	0.000
F3	0.832	1.458	0.000
F4	0.832	-0.430	1.085
F5	0.832	-0.430	-1.085
F6	-1.629	-1.057	0.000
H7	-1.498	0.760	0.898
H8	-1.498	0.760	-0.898

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.5106	1.3479	1.3411	1.3411	2.3469	2.1353	2.1353
C2	1.5106		2.3310	2.3607	2.3607	1.3794	1.0941	1.0941
F3	1.3479	2.3310		2.1779	2.1779	3.5182	2.5930	2.5930
F4	1.3411	2.3607	2.1779		2.1700	2.7613	2.6235	3.2836
F5	1.3411	2.3607	2.1779	2.1700		2.7613	3.2836	2.6235
F6	2.3469	1.3794	3.5182	2.7613	2.7613		2.0312	2.0312
H7	2.1353	1.0941	2.5930	2.6235	3.2836	2.0312		1.7968
H8	2.1353	1.0941	2.5930	3.2836	2.6235	2.0312	1.7968

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.513	C1	C2	H7	109.078
C1	C2	H8	109.078	C2	C1	F3	109.138
C2	C1	F4	111.614	C2	C1	F5	111.614
F3	C1	F4	108.175	F3	C1	F5	108.175
F4	C1	F5	108.007	F6	C2	H7	109.873
F6	C2	H8	109.873	H7	C2	H8	110.390

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

using model chemistry: CCD/6-31G*

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: CCD/6-31G*

States and conformations

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