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	hartrees
Energy at 0K	-376.838050
Energy at 298.15K
HF Energy	-375.891390
Nuclear repulsion energy	190.358241

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3153	3057
2	A	3123	3028
3	A	3083	2990
4	A	1513	1468
5	A	1486	1441
6	A	1436	1392
7	A	1365	1323
8	A	1283	1245
9	A	1179	1143
10	A	1157	1122
11	A	1130	1096
12	A	1103	1070
13	A	921	894
14	A	579	562
15	A	480	465
16	A	430	417
17	A	245	237
18	A	126	122

Atom	x (Å)	y (Å)	z (Å)
C1	-0.771	-0.597	-0.284
C2	0.469	0.022	0.329
F3	-1.882	0.105	0.151
F4	1.540	-0.758	-0.008
F5	0.670	1.266	-0.182
H6	-0.702	-0.532	-1.375
H7	-0.855	-1.641	0.036
H8	0.416	0.101	1.420

	C1	C2	F3	F4	F5	H6	H7	H8
C1		1.5160	1.3835	2.3330	2.3579	1.0955	1.0953	2.1908
C2	1.5160		2.3591	1.3663	1.3606	2.1410	2.1455	1.0948
F3	1.3835	2.3591		3.5318	2.8231	2.0318	2.0285	2.6244
F4	2.3330	1.3663	3.5318		2.2101	2.6350	2.5525	2.0101
F5	2.3579	1.3606	2.8231	2.2101		2.5576	3.2901	1.9971
H6	1.0955	2.1410	2.0318	2.6350	2.5576		1.8014	3.0762
H7	1.0953	2.1455	2.0285	2.5525	3.2901	1.8014		2.5618
H8	2.1908	1.0948	2.6244	2.0101	1.9971	3.0762	2.5618

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.966	C1	C2	F5	109.990
C1	C2	H8	113.110	C2	C1	F3	108.821
C2	C1	H6	109.081	C2	C1	H7	109.441
F3	C1	H6	109.548	F3	C1	H7	109.292
F4	C2	F5	108.282	F4	C2	H8	109.016
F5	C2	H8	108.369	H6	C1	H7	110.630

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

using model chemistry: MP4/6-311G**

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: MP4/6-311G**

States and conformations

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