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	hartrees
Energy at 0K	-376.695220
Energy at 298.15K
HF Energy	-375.806113
Nuclear repulsion energy	189.946193

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3157	3046
2	A	3114	3005
3	A	3086	2978
4	A	1494	1442
5	A	1471	1420
6	A	1413	1364
7	A	1342	1295
8	A	1263	1219
9	A	1179	1138
10	A	1148	1108
11	A	1130	1090
12	A	1102	1064
13	A	915	883
14	A	577	557
15	A	472	455
16	A	427	412
17	A	237	229
18	A	121	116

Atom	x (Å)	y (Å)	z (Å)
C1	-0.773	-0.596	-0.283
C2	0.470	0.022	0.330
F3	-1.885	0.105	0.150
F4	1.542	-0.760	-0.008
F5	0.672	1.269	-0.182
H6	-0.698	-0.537	-1.384
H7	-0.852	-1.651	0.034
H8	0.412	0.101	1.430

	C1	C2	F3	F4	F5	H6	H7	H8
C1		1.5172	1.3845	2.3365	2.3612	1.1046	1.1042	2.1963
C2	1.5172		2.3635	1.3687	1.3633	2.1474	2.1521	1.1047
F3	1.3845	2.3635		3.5379	2.8292	2.0434	2.0407	2.6291
F4	2.3365	1.3687	3.5379		2.2143	2.6376	2.5541	2.0215
F5	2.3612	1.3633	2.8292	2.2143		2.5652	3.3004	2.0078
H6	1.1046	2.1474	2.0434	2.6376	2.5652		1.8094	3.0909
H7	1.1042	2.1521	2.0407	2.5541	3.3004	1.8094		2.5717
H8	2.1963	1.1047	2.6291	2.0215	2.0078	3.0909	2.5717

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.009	C1	C2	F5	110.001
C1	C2	H8	112.847	C2	C1	F3	108.997
C2	C1	H6	108.964	C2	C1	H7	109.354
F3	C1	H6	109.851	F3	C1	H7	109.651
F4	C2	F5	108.291	F4	C2	H8	109.165
F5	C2	H8	108.431	H6	C1	H7	110.004

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

using model chemistry: MP4=FULL/cc-pVDZ

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/cc-pVDZ

States and conformations

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