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	hartrees
Energy at 0K	-475.706154
Energy at 298.15K	-475.710398
Nuclear repulsion energy	275.267382

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3226	2997	14.87
2	A'	1595	1482	11.20
3	A'	1567	1456	27.21
4	A'	1411	1311	180.68
5	A'	1310	1217	299.91
6	A'	1206	1121	109.22
7	A'	907	843	19.43
8	A'	709	659	40.56
9	A'	584	543	12.14
10	A'	438	407	0.88
11	A'	232	215	4.01
12	A"	3292	3059	14.70
13	A"	1423	1322	186.79
14	A"	1302	1210	75.71
15	A"	1055	980	60.69
16	A"	567	527	4.05
17	A"	374	348	1.16
18	A"	119	111	7.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.359	0.191	0.000
C2	-1.146	0.237	0.000
F3	0.829	1.432	0.000
F4	0.829	-0.428	1.069
F5	0.829	-0.428	-1.069
F6	-1.632	-1.030	0.000
H7	-1.483	0.754	0.891
H8	-1.483	0.754	-0.891

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.5058	1.3271	1.3209	1.3209	2.3355	2.1221	2.1221
C2	1.5058		2.3079	2.3416	2.3416	1.3568	1.0836	1.0836
F3	1.3271	2.3079		2.1446	2.1446	3.4806	2.5680	2.5680
F4	1.3209	2.3416	2.1446		2.1374	2.7498	2.6021	3.2524
F5	1.3209	2.3416	2.1446	2.1374		2.7498	3.2524	2.6021
F6	2.3355	1.3568	3.4806	2.7498	2.7498		1.9995	1.9995
H7	2.1221	1.0836	2.5680	2.6021	3.2524	1.9995		1.7813
H8	2.1221	1.0836	2.5680	3.2524	2.6021	1.9995	1.7813

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.239	C1	C2	H7	108.985
C1	C2	H8	108.985	C2	C1	F3	108.951
C2	C1	F4	111.701	C2	C1	F5	111.701
F3	C1	F4	108.176	F3	C1	F5	108.176
F4	C1	F5	108.014	F6	C2	H7	109.527
F6	C2	H8	109.527	H7	C2	H8	110.555

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

using model chemistry: CID/6-311G*

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: CID/6-311G*

States and conformations

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