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	hartrees
Energy at 0K	-475.248015
Energy at 298.15K	-475.251676
Nuclear repulsion energy	260.587239

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3133	3024	11.76
2	A'	1526	1473	8.04
3	A'	1426	1377	2.36
4	A'	1265	1222	108.18
5	A'	1049	1013	252.70
6	A'	989	955	49.68
7	A'	763	736	36.51
8	A'	588	568	36.15
9	A'	486	469	14.55
10	A'	367	354	1.71
11	A'	205	198	5.69
12	A"	3225	3113	4.61
13	A"	1276	1231	76.41
14	A"	1133	1093	60.54
15	A"	936	904	125.36
16	A"	469	453	3.98
17	A"	321	310	2.02
18	A"	97	94	11.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.349	0.195	0.000
C2	-1.185	0.270	0.000
F3	0.871	1.521	0.000
F4	0.871	-0.457	1.138
F5	0.871	-0.457	-1.138
F6	-1.714	-1.089	0.000
H7	-1.530	0.773	0.911
H8	-1.530	0.773	-0.911

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.5357	1.4256	1.4113	1.4113	2.4295	2.1666	2.1666
C2	1.5357		2.4069	2.4597	2.4597	1.4581	1.0967	1.0967
F3	1.4256	2.4069		2.2822	2.2822	3.6734	2.6746	2.6746
F4	1.4113	2.4597	2.2822		2.2751	2.8938	2.7072	3.3876
F5	1.4113	2.4597	2.2822	2.2751		2.8938	3.3876	2.7072
F6	2.4295	1.4581	3.6734	2.8938	2.8938		2.0815	2.0815
H7	2.1666	1.0967	2.6746	2.7072	3.3876	2.0815		1.8226
H8	2.1666	1.0967	2.6746	3.3876	2.7072	2.0815	1.8226

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.454	C1	C2	H7	109.659
C1	C2	H8	109.659	C2	C1	F3	108.680
C2	C1	F4	113.088	C2	C1	F5	113.088
F3	C1	F4	107.121	F3	C1	F5	107.121
F4	C1	F5	107.419	F6	C2	H7	108.289
F6	C2	H8	108.289	H7	C2	H8	112.394

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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