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	hartrees
Energy at 0K	-472.667476
Energy at 298.15K	-472.671520
Nuclear repulsion energy	269.326995

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3212	3001	6.24
2	A'	1635	1528	3.63
3	A'	1535	1435	3.23
4	A'	1388	1297	186.15
5	A'	1308	1223	207.76
6	A'	1153	1077	39.43
7	A'	861	804	12.63
8	A'	658	615	37.92
9	A'	546	510	20.51
10	A'	410	383	1.50
11	A'	204	191	4.92
12	A"	3262	3048	10.79
13	A"	1452	1357	133.15
14	A"	1277	1193	48.50
15	A"	1078	1008	41.58
16	A"	528	493	8.10
17	A"	347	324	1.02
18	A"	114	107	7.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.356	0.192	0.000
C2	-1.146	0.255	0.000
F3	0.837	1.472	0.000
F4	0.837	-0.444	1.102
F5	0.837	-0.444	-1.102
F6	-1.656	-1.056	0.000
H7	-1.469	0.787	0.888
H8	-1.469	0.787	-0.888

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.5039	1.3672	1.3603	1.3603	2.3682	2.1155	2.1155
C2	1.5039		2.3265	2.3742	2.3742	1.4072	1.0844	1.0844
F3	1.3672	2.3265		2.2107	2.2107	3.5507	2.5644	2.5644
F4	1.3603	2.3742	2.2107		2.2042	2.7936	2.6228	3.2857
F5	1.3603	2.3742	2.2107	2.2042		2.7936	3.2857	2.6228
F6	2.3682	1.4072	3.5507	2.7936	2.7936		2.0545	2.0545
H7	2.1155	1.0844	2.5644	2.6228	3.2857	2.0545		1.7768
H8	2.1155	1.0844	2.5644	3.2857	2.6228	2.0545	1.7768

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.836	C1	C2	H7	108.552
C1	C2	H8	108.552	C2	C1	F3	108.163
C2	C1	F4	111.877	C2	C1	F5	111.877
F3	C1	F4	108.292	F3	C1	F5	108.292
F4	C1	F5	108.221	F6	C2	H7	110.416
F6	C2	H8	110.416	H7	C2	H8	110.015

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

using model chemistry: CISD/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: CISD/3-21G*

States and conformations

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