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	hartrees
Energy at 0K	-376.575799
Energy at 298.15K
HF Energy	-375.784336
Nuclear repulsion energy	191.063247

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3205	3007	29.28
2	A	3175	2980	24.75
3	A	3139	2945	14.15
4	A	1570	1473	3.52
5	A	1526	1432	17.39
6	A	1476	1385	31.75
7	A	1395	1309	26.93
8	A	1302	1221	14.30
9	A	1223	1147	104.26
10	A	1193	1119	75.09
11	A	1180	1108	103.42
12	A	1150	1079	39.96
13	A	954	895	30.55
14	A	588	551	4.90
15	A	494	463	20.49
16	A	436	410	6.49
17	A	247	231	9.05
18	A	127	119	8.12

Atom	x (Å)	y (Å)	z (Å)
C1	-0.760	-0.608	-0.278
C2	0.465	0.021	0.333
F3	-1.868	0.101	0.147
F4	1.543	-0.741	-0.011
F5	0.646	1.265	-0.184
H6	-0.685	-0.555	-1.367
H7	-0.849	-1.649	0.043
H8	0.413	0.100	1.421

	C1	C2	F3	F4	F5	H6	H7	H8
C1		1.5068	1.3826	2.3227	2.3436	1.0929	1.0928	2.1830
C2	1.5068		2.3424	1.3643	1.3589	2.1317	2.1444	1.0922
F3	1.3826	2.3424		3.5176	2.7899	2.0306	2.0279	2.6132
F4	2.3227	1.3643	3.5176		2.2048	2.6153	2.5588	2.0087
F5	2.3436	1.3589	2.7899	2.2048		2.5460	3.2823	1.9963
H6	1.0929	2.1317	2.0306	2.6153	2.5460		1.7923	3.0674
H7	1.0928	2.1444	2.0279	2.5588	3.2823	1.7923		2.5593
H8	2.1830	1.0922	2.6132	2.0087	1.9963	3.0674	2.5593

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.893	C1	C2	F5	109.626
C1	C2	H8	113.299	C2	C1	F3	108.248
C2	C1	H6	109.129	C2	C1	H7	110.134
F3	C1	H6	109.671	F3	C1	H7	109.457
F4	C2	F5	108.118	F4	C2	H8	109.205
F5	C2	H8	108.577	H6	C1	H7	110.171

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

using model chemistry: MP3=FULL/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 CHF2CH2F (Ethane, 1,1,2-trifluoro)

using model chemistry: MP3=FULL/6-31G*

States and conformations

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