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	hartrees
Energy at 0K	-475.702246
Energy at 298.15K	-475.706311
Nuclear repulsion energy	271.758347

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3138	2982	14.66
2	A'	1502	1427	9.89
3	A'	1481	1407	33.17
4	A'	1340	1273	156.44
5	A'	1230	1169	282.03
6	A'	1141	1085	84.20
7	A'	857	815	19.14
8	A'	671	638	32.40
9	A'	556	528	9.56
10	A'	415	394	0.71
11	A'	216	205	3.36
12	A"	3214	3055	14.34
13	A"	1340	1274	159.87
14	A"	1229	1168	76.93
15	A"	995	945	58.18
16	A"	537	511	3.00
17	A"	353	336	0.89
18	A"	110	104	5.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.360	0.193	0.000
C2	-1.153	0.239	0.000
F3	0.837	1.454	0.000
F4	0.837	-0.436	1.085
F5	0.837	-0.436	-1.085
F6	-1.651	-1.042	0.000
H7	-1.486	0.774	0.901
H8	-1.486	0.774	-0.901

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.5136	1.3480	1.3412	1.3412	2.3600	2.1350	2.1350
C2	1.5136		2.3307	2.3643	2.3643	1.3749	1.0995	1.0995
F3	1.3480	2.3307		2.1786	2.1786	3.5238	2.5825	2.5825
F4	1.3412	2.3643	2.1786		2.1697	2.7808	2.6253	3.2867
F5	1.3412	2.3643	2.1786	2.1697		2.7808	3.2867	2.6253
F6	2.3600	1.3749	3.5238	2.7808	2.7808		2.0340	2.0340
H7	2.1350	1.0995	2.5825	2.6253	3.2867	2.0340		1.8023
H8	2.1350	1.0995	2.5825	3.2867	2.6253	2.0340	1.8023

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.485	C1	C2	H7	108.543
C1	C2	H8	108.543	C2	C1	F3	108.937
C2	C1	F4	111.687	C2	C1	F5	111.687
F3	C1	F4	108.223	F3	C1	F5	108.223
F4	C1	F5	107.967	F6	C2	H7	110.075
F6	C2	H8	110.075	H7	C2	H8	110.084

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

using model chemistry: MP2=FULL/cc-pVDZ

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=FULL/cc-pVDZ

States and conformations

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