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	hartrees
Energy at 0K	-376.601780
Energy at 298.15K
HF Energy	-375.789931
Nuclear repulsion energy	191.213841

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3242	3242	31.09
2	A	3206	3206	29.16
3	A	3172	3172	16.61
4	A	1576	1576	3.06
5	A	1535	1535	16.73
6	A	1481	1481	32.73
7	A	1402	1402	31.74
8	A	1309	1309	13.42
9	A	1226	1226	106.92
10	A	1196	1196	80.43
11	A	1182	1182	93.22
12	A	1155	1155	39.00
13	A	954	954	30.73
14	A	588	588	5.02
15	A	493	493	20.00
16	A	437	437	6.40
17	A	246	246	8.69
18	A	126	126	7.78

Atom	x (Å)	y (Å)	z (Å)
C1	-0.761	-0.606	-0.277
C2	0.466	0.021	0.332
F3	-1.869	0.102	0.146
F4	1.542	-0.742	-0.011
F5	0.648	1.265	-0.183
H6	-0.685	-0.558	-1.360
H7	-0.846	-1.641	0.046
H8	0.412	0.098	1.415

	C1	C2	F3	F4	F5	H6	H7	H8
C1		1.5067	1.3807	2.3225	2.3441	1.0872	1.0871	2.1762
C2	1.5067		2.3435	1.3631	1.3579	2.1266	2.1367	1.0873
F3	1.3807	2.3435		3.5171	2.7916	2.0260	2.0232	2.6105
F4	2.3225	1.3631	3.5171		2.2039	2.6100	2.5519	2.0041
F5	2.3441	1.3579	2.7916	2.2039		2.5463	3.2750	1.9921
H6	1.0872	2.1266	2.0260	2.6100	2.5463		1.7821	3.0555
H7	1.0871	2.1367	2.0232	2.5519	3.2750	1.7821		2.5462
H8	2.1762	1.0873	2.6105	2.0041	1.9921	3.0555	2.5462

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.942	C1	C2	F5	109.717
C1	C2	H8	113.063	C2	C1	F3	108.435
C2	C1	H6	109.062	C2	C1	H7	109.869
F3	C1	H6	109.789	F3	C1	H7	109.565
F4	C2	F5	108.179	F4	C2	H8	109.221
F5	C2	H8	108.607	H6	C1	H7	110.094

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

using model chemistry: MP3=FULL/6-31G**

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=FULL/6-31G**

States and conformations

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