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	hartrees
Energy at 0K	-377.044229
Energy at 298.15K
HF Energy	-375.957758
Nuclear repulsion energy	191.841431

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3189	3189	20.48
2	A	3159	3159	19.68
3	A	3125	3125	14.35
4	A	1525	1525	4.52
5	A	1506	1506	16.72
6	A	1445	1445	22.23
7	A	1383	1383	18.70
8	A	1304	1304	17.82
9	A	1216	1216	104.35
10	A	1184	1184	174.97
11	A	1166	1166	62.35
12	A	1146	1146	29.07
13	A	938	938	27.78
14	A	600	600	4.54
15	A	486	486	19.23
16	A	440	440	5.62
17	A	249	249	8.33
18	A	120	120	8.43

Atom	x (Å)	y (Å)	z (Å)
C1	-0.777	-0.583	-0.285
C2	0.467	0.020	0.325
F3	-1.872	0.114	0.153
F4	1.520	-0.760	-0.005
F5	0.688	1.248	-0.181
H6	-0.715	-0.518	-1.368
H7	-0.865	-1.621	0.025
H8	0.409	0.100	1.408

	C1	C2	F3	F4	F5	H6	H7	H8
C1		1.5106	1.3697	2.3207	2.3468	1.0872	1.0869	2.1768
C2	1.5106		2.3468	1.3513	1.3470	2.1340	2.1342	1.0868
F3	1.3697	2.3468		3.5062	2.8195	2.0127	2.0099	2.6034
F4	2.3207	1.3513	3.5062		2.1802	2.6293	2.5361	1.9925
F5	2.3468	1.3470	2.8195	2.1802		2.5483	3.2686	1.9796
H6	1.0872	2.1340	2.0127	2.6293	2.5483		1.7835	3.0582
H7	1.0869	2.1342	2.0099	2.5361	3.2686	1.7835		2.5494
H8	2.1768	1.0868	2.6034	1.9925	1.9796	3.0582	2.5494

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.241	C1	C2	F5	110.293
C1	C2	H8	112.863	C2	C1	F3	109.034
C2	C1	H6	109.385	C2	C1	H7	109.421
F3	C1	H6	109.475	F3	C1	H7	109.265
F4	C2	F5	107.799	F4	C2	H8	109.136
F5	C2	H8	108.383	H6	C1	H7	110.240

All results from a given calculation for CHF₂CH₂F (Ethane, 1,1,2-trifluoro)

using model chemistry: MP3/Def2TZVPP

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 CHF2CH2F (Ethane, 1,1,2-trifluoro)

using model chemistry: MP3/Def2TZVPP

States and conformations

All results from a given calculation for CHF₂CH₂F (Ethane, 1,1,2-trifluoro)