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	hartrees
Energy at 0K	-475.878680
Energy at 298.15K	-475.882787
Nuclear repulsion energy	272.494939

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3135	2979	13.76
2	A'	1522	1446	4.97
3	A'	1492	1418	27.03
4	A'	1344	1277	155.86
5	A'	1227	1166	285.73
6	A'	1144	1087	87.00
7	A'	862	819	19.69
8	A'	676	642	33.53
9	A'	558	530	9.31
10	A'	418	398	0.74
11	A'	222	211	3.49
12	A"	3209	3049	11.33
13	A"	1349	1282	133.21
14	A"	1240	1179	96.78
15	A"	1001	951	66.56
16	A"	541	514	2.86
17	A"	359	341	0.92
18	A"	115	109	5.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.360	0.193	0.000
C2	-1.151	0.239	0.000
F3	0.834	1.450	0.000
F4	0.834	-0.434	1.082
F5	0.834	-0.434	-1.082
F6	-1.647	-1.041	0.000
H7	-1.483	0.763	0.898
H8	-1.483	0.763	-0.898

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.5124	1.3440	1.3369	1.3369	2.3557	2.1281	2.1281
C2	1.5124		2.3259	2.3593	2.3593	1.3726	1.0909	1.0909
F3	1.3440	2.3259		2.1723	2.1723	3.5158	2.5785	2.5785
F4	1.3369	2.3593	2.1723		2.1636	2.7740	2.6147	3.2742
F5	1.3369	2.3593	2.1723	2.1636		2.7740	3.2742	2.6147
F6	2.3557	1.3726	3.5158	2.7740	2.7740		2.0214	2.0214
H7	2.1281	1.0909	2.5785	2.6147	3.2742	2.0214		1.7952
H8	2.1281	1.0909	2.5785	3.2742	2.6147	2.0214	1.7952

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.389	C1	C2	H7	108.585
C1	C2	H8	108.585	C2	C1	F3	108.892
C2	C1	F4	111.650	C2	C1	F5	111.650
F3	C1	F4	108.253	F3	C1	F5	108.253
F4	C1	F5	108.032	F6	C2	H7	109.755
F6	C2	H8	109.755	H7	C2	H8	110.739

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

using model chemistry: MP2/6-311G**

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: MP2/6-311G**

States and conformations

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