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	hartrees
Energy at 0K	-377.023914
Energy at 298.15K
HF Energy	-375.931066
Nuclear repulsion energy	192.051691

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3185	3185	16.75
2	A	3149	3149	18.43
3	A	3117	3117	14.42
4	A	1531	1531	5.45
5	A	1501	1501	15.10
6	A	1442	1442	20.84
7	A	1380	1380	16.29
8	A	1302	1302	18.05
9	A	1213	1213	100.28
10	A	1180	1180	170.45
11	A	1167	1167	68.09
12	A	1145	1145	36.91
13	A	939	939	27.87
14	A	599	599	4.31
15	A	489	489	19.95
16	A	440	440	5.79
17	A	249	249	8.44
18	A	124	124	8.65

Atom	x (Å)	y (Å)	z (Å)
C1	-0.775	-0.588	-0.282
C2	0.468	0.020	0.327
F3	-1.867	0.114	0.151
F4	1.522	-0.754	-0.008
F5	0.679	1.247	-0.182
H6	-0.713	-0.529	-1.367
H7	-0.866	-1.625	0.037
H8	0.414	0.102	1.411

	C1	C2	F3	F4	F5	H6	H7	H8
C1		1.5117	1.3680	2.3194	2.3433	1.0887	1.0884	2.1809
C2	1.5117		2.3433	1.3493	1.3448	2.1364	2.1380	1.0891
F3	1.3680	2.3433		3.5016	2.8060	2.0117	2.0093	2.6061
F4	2.3194	1.3493	3.5016		2.1777	2.6257	2.5430	1.9929
F5	2.3433	1.3448	2.8060	2.1777		2.5481	3.2684	1.9801
H6	1.0887	2.1364	2.0117	2.6257	2.5481		1.7875	3.0638
H7	1.0884	2.1380	2.0093	2.5430	3.2684	1.7875		2.5518
H8	2.1809	1.0891	2.6061	1.9929	1.9801	3.0638	2.5518

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.190	C1	C2	F5	110.097
C1	C2	H8	112.972	C2	C1	F3	108.819
C2	C1	H6	109.401	C2	C1	H7	109.549
F3	C1	H6	109.420	F3	C1	H7	109.246
F4	C2	F5	107.863	F4	C2	H8	109.162
F5	C2	H8	108.431	H6	C1	H7	110.380

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

using model chemistry: MP3/6-311+G(3df,2p)

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: MP3/6-311+G(3df,2p)

States and conformations

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