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	hartrees
Energy at 0K	-376.888052
Energy at 298.15K
HF Energy	-375.937630
Nuclear repulsion energy	190.025337

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3166	3048
2	A	3129	3013
3	A	3094	2980
4	A	1518	1462
5	A	1483	1428
6	A	1433	1380
7	A	1370	1319
8	A	1285	1238
9	A	1167	1123
10	A	1152	1110
11	A	1109	1068
12	A	1083	1043
13	A	916	882
14	A	579	557
15	A	481	463
16	A	426	410
17	A	245	236
18	A	116	112

Atom	x (Å)	y (Å)	z (Å)
C1	-0.774	-0.595	-0.284
C2	0.468	0.020	0.330
F3	-1.889	0.109	0.150
F4	1.540	-0.762	-0.009
F5	0.681	1.265	-0.182
H6	-0.713	-0.533	-1.373
H7	-0.863	-1.634	0.041
H8	0.420	0.100	1.418

	C1	C2	F3	F4	F5	H6	H7	H8
C1		1.5164	1.3881	2.3369	2.3646	1.0921	1.0919	2.1925
C2	1.5164		2.3656	1.3694	1.3630	2.1449	2.1429	1.0920
F3	1.3881	2.3656		3.5416	2.8379	2.0284	2.0252	2.6343
F4	2.3369	1.3694	3.5416		2.2084	2.6441	2.5574	2.0078
F5	2.3646	1.3630	2.8379	2.2084		2.5690	3.2926	1.9962
H6	1.0921	2.1449	2.0284	2.6441	2.5690		1.7976	3.0779
H7	1.0919	2.1429	2.0252	2.5574	3.2926	1.7976		2.5592
H8	2.1925	1.0920	2.6343	2.0078	1.9962	3.0779	2.5592

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.046	C1	C2	F5	110.307
C1	C2	H8	113.398	C2	C1	F3	108.988
C2	C1	H6	109.558	C2	C1	H7	109.408
F3	C1	H6	109.157	F3	C1	H7	108.907
F4	C2	F5	107.848	F4	C2	H8	108.793
F5	C2	H8	108.299	H6	C1	H7	110.794

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

using model chemistry: MP4/TZVP

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/TZVP

States and conformations

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