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	hartrees
Energy at 0K	-376.843724
Energy at 298.15K
HF Energy	-375.939369
Nuclear repulsion energy	191.291580

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3205	2997	22.80
2	A	3172	2967	22.27
3	A	3137	2934	14.86
4	A	1541	1441	2.00
5	A	1518	1419	16.70
6	A	1467	1372	28.27
7	A	1398	1308	25.55
8	A	1314	1229	14.33
9	A	1213	1134	102.38
10	A	1180	1103	105.99
11	A	1167	1091	118.77
12	A	1142	1068	54.98
13	A	941	880	33.31
14	A	601	562	5.22
15	A	492	460	22.54
16	A	440	412	5.64
17	A	253	236	9.58
18	A	117	110	9.62

Atom	x (Å)	y (Å)	z (Å)
C1	-0.779	-0.584	-0.286
C2	0.467	0.020	0.325
F3	-1.878	0.114	0.153
F4	1.524	-0.763	-0.005
F5	0.692	1.252	-0.181
H6	-0.719	-0.518	-1.371
H7	-0.866	-1.622	0.028
H8	0.411	0.099	1.410

	C1	C2	F3	F4	F5	H6	H7	H8
C1		1.5134	1.3744	2.3265	2.3544	1.0889	1.0886	2.1811
C2	1.5134		2.3535	1.3558	1.3508	2.1390	2.1359	1.0888
F3	1.3744	2.3535		3.5168	2.8303	2.0167	2.0141	2.6115
F4	2.3265	1.3558	3.5168		2.1866	2.6376	2.5399	1.9956
F5	2.3544	1.3508	2.8303	2.1866		2.5576	3.2760	1.9847
H6	1.0889	2.1390	2.0167	2.6376	2.5576		1.7888	3.0647
H7	1.0886	2.1359	2.0141	2.5399	3.2760	1.7888		2.5498
H8	2.1811	1.0888	2.6115	1.9956	1.9847	3.0647	2.5498

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.234	C1	C2	F5	110.448
C1	C2	H8	112.885	C2	C1	F3	109.078
C2	C1	H6	109.486	C2	C1	H7	109.257
F3	C1	H6	109.367	F3	C1	H7	109.170
F4	C2	F5	107.777	F4	C2	H8	108.957
F5	C2	H8	108.409	H6	C1	H7	110.461

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

using model chemistry: MP3/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: MP3/TZVP

States and conformations

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