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	hartrees
Energy at 0K	-475.184384
Energy at 298.15K	-475.188244
Nuclear repulsion energy	263.825998

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3094	2981	4.92
2	A'	1555	1499	3.67
3	A'	1453	1400	5.14
4	A'	1316	1268	124.83
5	A'	1185	1142	207.68
6	A'	1044	1006	48.66
7	A'	807	778	25.39
8	A'	617	594	37.80
9	A'	509	490	16.86
10	A'	385	371	1.86
11	A'	209	202	4.98
12	A"	3161	3046	6.78
13	A"	1332	1283	110.36
14	A"	1190	1146	45.56
15	A"	1001	965	62.51
16	A"	489	472	5.55
17	A"	338	326	2.20
18	A"	111	107	9.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.350	0.199	0.000
C2	-1.167	0.260	0.000
F3	0.852	1.510	0.000
F4	0.852	-0.450	1.128
F5	0.852	-0.450	-1.128
F6	-1.674	-1.088	0.000
H7	-1.516	0.772	0.904
H8	-1.516	0.772	-0.904

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.5184	1.4043	1.3951	1.3951	2.3986	2.1511	2.1511
C2	1.5184		2.3750	2.4198	2.4198	1.4404	1.0961	1.0961
F3	1.4043	2.3750		2.2619	2.2619	3.6240	2.6400	2.6400
F4	1.3951	2.4198	2.2619		2.2561	2.8393	2.6744	3.3514
F5	1.3951	2.4198	2.2619	2.2561		2.8393	3.3514	2.6744
F6	2.3986	1.4404	3.6240	2.8393	2.8393		2.0745	2.0745
H7	2.1511	1.0961	2.6400	2.6744	3.3514	2.0745		1.8084
H8	2.1511	1.0961	2.6400	3.3514	2.6744	2.0745	1.8084

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.293	C1	C2	H7	109.673
C1	C2	H8	109.673	C2	C1	F3	108.645
C2	C1	F4	112.243	C2	C1	F5	112.243
F3	C1	F4	107.803	F3	C1	F5	107.803
F4	C1	F5	107.919	F6	C2	H7	108.990
F6	C2	H8	108.990	H7	C2	H8	111.166

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

using model chemistry: QCISD/6-31G

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: QCISD/6-31G

States and conformations

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