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	hartrees
Energy at 0K	-472.753146
Energy at 298.15K	-472.757069
Nuclear repulsion energy	267.145530

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3099	2978	8.37
2	A'	1588	1527	2.69
3	A'	1485	1427	1.76
4	A'	1333	1281	167.94
5	A'	1259	1210	185.13
6	A'	1102	1059	30.75
7	A'	825	793	10.78
8	A'	634	609	33.34
9	A'	527	506	18.28
10	A'	395	380	1.32
11	A'	196	188	4.47
12	A"	3146	3024	13.85
13	A"	1404	1349	114.24
14	A"	1236	1188	45.10
15	A"	1044	1003	40.35
16	A"	510	490	7.27
17	A"	334	321	0.81
18	A"	111	107	6.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.360	0.194	0.000
C2	-1.153	0.257	0.000
F3	0.842	1.485	0.000
F4	0.842	-0.449	1.112
F5	0.842	-0.449	-1.112
F6	-1.669	-1.065	0.000
H7	-1.477	0.795	0.895
H8	-1.477	0.795	-0.895

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.5140	1.3788	1.3719	1.3719	2.3877	2.1295	2.1295
C2	1.5140		2.3429	2.3909	2.3909	1.4198	1.0933	1.0933
F3	1.3788	2.3429		2.2310	2.2310	3.5795	2.5797	2.5797
F4	1.3719	2.3909	2.2310		2.2239	2.8148	2.6403	3.3096
F5	1.3719	2.3909	2.2310	2.2239		2.8148	3.3096	2.6403
F6	2.3877	1.4198	3.5795	2.8148	2.8148		2.0737	2.0737
H7	2.1295	1.0933	2.5797	2.6403	3.3096	2.0737		1.7906
H8	2.1295	1.0933	2.5797	3.3096	2.6403	2.0737	1.7906

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.900	C1	C2	H7	108.439
C1	C2	H8	108.439	C2	C1	F3	108.081
C2	C1	F4	111.784	C2	C1	F5	111.784
F3	C1	F4	108.398	F3	C1	F5	108.398
F4	C1	F5	108.290	F6	C2	H7	110.531
F6	C2	H8	110.531	H7	C2	H8	109.940

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

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

States and conformations

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