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	hartrees
Energy at 0K	-475.609459
Energy at 298.15K	-475.613524
Nuclear repulsion energy	271.852740

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3119	2946	12.01
2	A'	1557	1471	5.76
3	A'	1509	1425	27.26
4	A'	1370	1293	145.52
5	A'	1267	1197	252.16
6	A'	1150	1086	74.97
7	A'	870	822	18.65
8	A'	672	635	33.22
9	A'	553	522	10.48
10	A'	415	392	0.82
11	A'	218	206	3.36
12	A"	3182	3005	15.05
13	A"	1375	1299	163.85
14	A"	1251	1181	45.19
15	A"	1024	967	52.23
16	A"	534	504	3.17
17	A"	359	339	1.34
18	A"	114	108	5.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.355	0.197	0.000
C2	-1.155	0.239	0.000
F3	0.832	1.460	0.000
F4	0.832	-0.431	1.086
F5	0.832	-0.431	-1.086
F6	-1.630	-1.058	0.000
H7	-1.499	0.761	0.899
H8	-1.499	0.761	-0.899

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.5106	1.3497	1.3427	1.3427	2.3480	2.1355	2.1355
C2	1.5106		2.3322	2.3621	2.3621	1.3813	1.0943	1.0943
F3	1.3497	2.3322		2.1806	2.1806	3.5212	2.5940	2.5940
F4	1.3427	2.3621	2.1806		2.1727	2.7628	2.6246	3.2854
F5	1.3427	2.3621	2.1806	2.1727		2.7628	3.2854	2.6246
F6	2.3480	1.3813	3.5212	2.7628	2.7628		2.0329	2.0329
H7	2.1355	1.0943	2.5940	2.6246	3.2854	2.0329		1.7974
H8	2.1355	1.0943	2.5940	3.2854	2.6246	2.0329	1.7974

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.484	C1	C2	H7	109.084
C1	C2	H8	109.084	C2	C1	F3	109.117
C2	C1	F4	111.623	C2	C1	F5	111.623
F3	C1	F4	108.175	F3	C1	F5	108.175
F4	C1	F5	108.009	F6	C2	H7	109.866
F6	C2	H8	109.866	H7	C2	H8	110.420

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

using model chemistry: CCSD/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: CCSD/6-31G*

States and conformations

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