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	hartrees
Energy at 0K	-376.892210
Energy at 298.15K
HF Energy	-375.892925
Nuclear repulsion energy	191.664005

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3199	3199	31.29
2	A	3172	3172	24.05
3	A	3132	3132	16.48
4	A	1535	1535	1.09
5	A	1518	1518	22.12
6	A	1467	1467	30.94
7	A	1391	1391	29.93
8	A	1310	1310	15.70
9	A	1223	1223	115.56
10	A	1192	1192	134.58
11	A	1174	1174	77.96
12	A	1154	1154	30.22
13	A	944	944	33.06
14	A	599	599	5.45
15	A	491	491	20.88
16	A	443	443	6.04
17	A	251	251	8.81
18	A	126	126	8.64

Atom	x (Å)	y (Å)	z (Å)
C1	-0.773	-0.591	-0.282
C2	0.469	0.021	0.326
F3	-1.870	0.110	0.151
F4	1.527	-0.754	-0.008
F5	0.673	1.253	-0.181
H6	-0.705	-0.530	-1.370
H7	-0.858	-1.631	0.037
H8	0.412	0.099	1.413

	C1	C2	F3	F4	F5	H6	H7	H8
C1		1.5116	1.3709	2.3223	2.3457	1.0919	1.0915	2.1793
C2	1.5116		2.3467	1.3532	1.3486	2.1342	2.1386	1.0910
F3	1.3709	2.3467		3.5084	2.8080	2.0190	2.0166	2.6072
F4	2.3223	1.3532	3.5084		2.1880	2.6242	2.5422	1.9973
F5	2.3457	1.3486	2.8080	2.1880		2.5476	3.2732	1.9855
H6	1.0919	2.1342	2.0190	2.6242	2.5476		1.7928	3.0631
H7	1.0915	2.1386	2.0166	2.5422	3.2732	1.7928		2.5494
H8	2.1793	1.0910	2.6072	1.9973	1.9855	3.0631	2.5494

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.187	C1	C2	F5	110.058
C1	C2	H8	112.719	C2	C1	F3	108.905
C2	C1	H6	109.057	C2	C1	H7	109.420
F3	C1	H6	109.616	F3	C1	H7	109.434
F4	C2	F5	108.160	F4	C2	H8	109.129
F5	C2	H8	108.487	H6	C1	H7	110.386

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-311G**

States and conformations

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