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	hartrees
Energy at 0K	-472.746145
Energy at 298.15K	-472.750094
Nuclear repulsion energy	267.267773

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3158	2994	7.82
2	A'	1614	1530	2.95
3	A'	1506	1428	1.76
4	A'	1339	1269	167.84
5	A'	1255	1190	199.72
6	A'	1111	1053	30.87
7	A'	833	789	12.36
8	A'	637	604	32.02
9	A'	530	503	17.54
10	A'	397	377	1.27
11	A'	197	187	4.45
12	A"	3213	3046	12.63
13	A"	1410	1337	105.54
14	A"	1247	1182	53.98
15	A"	1052	997	48.86
16	A"	512	486	6.67
17	A"	337	319	0.87
18	A"	115	109	6.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.358	0.193	0.000
C2	-1.149	0.258	0.000
F3	0.841	1.486	0.000
F4	0.841	-0.450	1.113
F5	0.841	-0.450	-1.113
F6	-1.669	-1.064	0.000
H7	-1.470	0.794	0.891
H8	-1.470	0.794	-0.891

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.5085	1.3802	1.3729	1.3729	2.3848	2.1210	2.1210
C2	1.5085		2.3389	2.3872	2.3872	1.4196	1.0889	1.0889
F3	1.3802	2.3389		2.2331	2.2331	3.5777	2.5722	2.5722
F4	1.3729	2.3872	2.2331		2.2251	2.8128	2.6341	3.3024
F5	1.3729	2.3872	2.2331	2.2251		2.8128	3.3024	2.6341
F6	2.3848	1.4196	3.5777	2.8128	2.8128		2.0701	2.0701
H7	2.1210	1.0889	2.5722	2.6341	3.3024	2.0701		1.7830
H8	2.1210	1.0889	2.5722	3.3024	2.6341	2.0701	1.7830

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.021	C1	C2	H7	108.400
C1	C2	H8	108.400	C2	C1	F3	108.042
C2	C1	F4	111.799	C2	C1	F5	111.799
F3	C1	F4	108.415	F3	C1	F5	108.415
F4	C1	F5	108.267	F6	C2	H7	110.527
F6	C2	H8	110.527	H7	C2	H8	109.906

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

using model chemistry: MP2=FULL/3-21G*

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/3-21G*

States and conformations

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