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	hartrees
Energy at 0K	-374.317255
Energy at 298.15K
HF Energy	-373.746078
Nuclear repulsion energy	186.677502

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3134	3068
2	A	3110	3044
3	A	3079	3014
4	A	1588	1554
5	A	1480	1449
6	A	1475	1444
7	A	1389	1360
8	A	1284	1257
9	A	1172	1147
10	A	1137	1113
11	A	1117	1093
12	A	1076	1053
13	A	921	901
14	A	548	536
15	A	445	435
16	A	406	397
17	A	214	209
18	A	121	119

Atom	x (Å)	y (Å)	z (Å)
C1	-0.758	-0.604	-0.314
C2	0.465	0.025	0.338
F3	-1.917	0.080	0.165
F4	1.572	-0.775	0.006
F5	0.664	1.310	-0.184
H6	-0.672	-0.497	-1.401
H7	-0.803	-1.664	-0.045
H8	0.364	0.090	1.425

	C1	C2	F3	F4	F5	H6	H7	H8
C1		1.5225	1.4282	2.3584	2.3883	1.0957	1.0947	2.1828
C2	1.5225		2.3888	1.4057	1.4014	2.1431	2.1468	1.0932
F3	1.4282	2.3888		3.5956	2.8802	2.0823	2.0799	2.6053
F4	2.3584	1.4057	3.5956		2.2824	2.6634	2.5367	2.0548
F5	2.3883	1.4014	2.8802	2.2824		2.5565	3.3194	2.0412
H6	1.0957	2.1431	2.0823	2.6634	2.5565		1.7937	3.0669
H7	1.0947	2.1468	2.0799	2.5367	3.3194	1.7937		2.5690
H8	2.1828	1.0932	2.6053	2.0548	2.0412	3.0669	2.5690

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.233	C1	C2	F5	109.466
C1	C2	H8	112.089	C2	C1	F3	108.070
C2	C1	H6	108.784	C2	C1	H7	109.130
F3	C1	H6	110.495	F3	C1	H7	110.364
F4	C2	F5	108.793	F4	C2	H8	110.001
F5	C2	H8	109.193	H6	C1	H7	109.950

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

using model chemistry: MP4=FULL/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=FULL/3-21G

States and conformations

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