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	hartrees
Energy at 0K	-475.613845
Energy at 298.15K	-475.617897
Nuclear repulsion energy	271.621775

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3115	2967	12.70
2	A'	1556	1482	5.57
3	A'	1505	1433	25.92
4	A'	1365	1300	143.36
5	A'	1260	1200	252.60
6	A'	1143	1089	75.26
7	A'	866	825	18.85
8	A'	670	638	32.68
9	A'	551	525	10.31
10	A'	414	394	0.80
11	A'	217	207	3.36
12	A"	3178	3027	15.81
13	A"	1370	1305	160.15
14	A"	1247	1188	46.91
15	A"	1022	973	53.70
16	A"	532	506	3.11
17	A"	358	341	1.31
18	A"	113	108	5.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.355	0.197	0.000
C2	-1.156	0.240	0.000
F3	0.833	1.461	0.000
F4	0.833	-0.432	1.087
F5	0.833	-0.432	-1.087
F6	-1.631	-1.059	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		1.5111	1.3512	1.3440	1.3440	2.3496	2.1363	2.1363
C2	1.5111		2.3337	2.3638	2.3638	1.3827	1.0946	1.0946
F3	1.3512	2.3337		2.1828	2.1828	3.5242	2.5956	2.5956
F4	1.3440	2.3638	2.1828		2.1746	2.7652	2.6263	3.2875
F5	1.3440	2.3638	2.1828	2.1746		2.7652	3.2875	2.6263
F6	2.3496	1.3827	3.5242	2.7652	2.7652		2.0341	2.0341
H7	2.1363	1.0946	2.5956	2.6263	3.2875	2.0341		1.7980
H8	2.1363	1.0946	2.5956	3.2875	2.6263	2.0341	1.7980

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.494	C1	C2	H7	109.098
C1	C2	H8	109.098	C2	C1	F3	109.109
C2	C1	F4	111.640	C2	C1	F5	111.640
F3	C1	F4	108.167	F3	C1	F5	108.167
F4	C1	F5	107.997	F6	C2	H7	109.844
F6	C2	H8	109.844	H7	C2	H8	110.427

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)