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	hartrees
Energy at 0K	-377.141625
Energy at 298.15K
HF Energy	-375.931298
Nuclear repulsion energy	192.432465

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3194	3194	16.36
2	A	3158	3158	18.65
3	A	3127	3127	14.22
4	A	1534	1534	5.61
5	A	1506	1506	15.59
6	A	1446	1446	20.64
7	A	1384	1384	15.80
8	A	1307	1307	18.09
9	A	1218	1218	100.81
10	A	1186	1186	171.33
11	A	1172	1172	67.19
12	A	1150	1150	35.21
13	A	943	943	27.74
14	A	601	601	4.31
15	A	492	492	19.80
16	A	443	443	5.87
17	A	250	250	8.41
18	A	125	125	8.63

Atom	x (Å)	y (Å)	z (Å)
C1	-0.772	-0.589	-0.279
C2	0.467	0.020	0.326
F3	-1.863	0.113	0.150
F4	1.521	-0.750	-0.008
F5	0.674	1.245	-0.182
H6	-0.709	-0.532	-1.363
H7	-0.863	-1.624	0.040
H8	0.413	0.101	1.409

	C1	C2	F3	F4	F5	H6	H7	H8
C1		1.5077	1.3654	2.3145	2.3378	1.0873	1.0869	2.1754
C2	1.5077		2.3383	1.3469	1.3425	2.1313	2.1334	1.0877
F3	1.3654	2.3383		3.4950	2.7977	2.0088	2.0066	2.6012
F4	2.3145	1.3469	3.4950		2.1745	2.6184	2.5387	1.9899
F5	2.3378	1.3425	2.7977	2.1745		2.5436	3.2621	1.9772
H6	1.0873	2.1313	2.0088	2.6184	2.5436		1.7843	3.0575
H7	1.0869	2.1334	2.0066	2.5387	3.2621	1.7843		2.5449
H8	2.1754	1.0877	2.6012	1.9899	1.9772	3.0575	2.5449

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.221	C1	C2	F5	110.080
C1	C2	H8	112.897	C2	C1	F3	108.848
C2	C1	H6	109.364	C2	C1	H7	109.555
F3	C1	H6	109.447	F3	C1	H7	109.299
F4	C2	F5	107.911	F4	C2	H8	109.171
F5	C2	H8	108.442	H6	C1	H7	110.305

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

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

States and conformations

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