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	hartrees
Energy at 0K	-374.308955
Energy at 298.15K
HF Energy	-373.746033
Nuclear repulsion energy	186.650332

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3134	3039
2	A	3109	3015
3	A	3079	2986
4	A	1588	1540
5	A	1480	1435
6	A	1475	1430
7	A	1389	1347
8	A	1284	1245
9	A	1172	1136
10	A	1137	1103
11	A	1116	1083
12	A	1075	1043
13	A	920	893
14	A	547	531
15	A	445	431
16	A	405	393
17	A	214	207
18	A	121	117

Atom	x (Å)	y (Å)	z (Å)
C1	-0.759	-0.604	-0.314
C2	0.465	0.025	0.338
F3	-1.917	0.081	0.165
F4	1.572	-0.775	0.006
F5	0.664	1.311	-0.184
H6	-0.673	-0.497	-1.402
H7	-0.804	-1.664	-0.045
H8	0.364	0.090	1.425

	C1	C2	F3	F4	F5	H6	H7	H8
C1		1.5227	1.4284	2.3587	2.3887	1.0958	1.0948	2.1831
C2	1.5227		2.3892	1.4059	1.4016	2.1434	2.1470	1.0933
F3	1.4284	2.3892		3.5961	2.8807	2.0826	2.0802	2.6057
F4	2.3587	1.4059	3.5961		2.2827	2.6638	2.5369	2.0550
F5	2.3887	1.4016	2.8807	2.2827		2.5571	3.3199	2.0414
H6	1.0958	2.1434	2.0826	2.6638	2.5571		1.7939	3.0673
H7	1.0948	2.1470	2.0802	2.5369	3.3199	1.7939		2.5692
H8	2.1831	1.0933	2.6057	2.0550	2.0414	3.0673	2.5692

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.229	C1	C2	F5	109.473
C1	C2	H8	112.090	C2	C1	F3	108.070
C2	C1	H6	108.789	C2	C1	H7	109.127
F3	C1	H6	110.493	F3	C1	H7	110.362
F4	C2	F5	108.796	F4	C2	H8	109.996
F5	C2	H8	109.191	H6	C1	H7	109.952

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

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

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