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	hartrees
Energy at 0K	-376.651928
Energy at 298.15K
HF Energy	-375.807266
Nuclear repulsion energy	190.786562

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3189	3023	31.87
2	A	3153	2988	31.04
3	A	3121	2958	17.84
4	A	1508	1430	1.85
5	A	1498	1420	23.94
6	A	1440	1365	33.08
7	A	1364	1293	32.32
8	A	1283	1216	18.91
9	A	1213	1150	117.06
10	A	1181	1120	132.77
11	A	1161	1101	75.12
12	A	1140	1081	24.14
13	A	933	885	31.58
14	A	593	562	5.14
15	A	480	455	19.26
16	A	437	414	6.06
17	A	243	231	8.47
18	A	119	113	8.14

Atom	x (Å)	y (Å)	z (Å)
C1	-0.776	-0.590	-0.284
C2	0.470	0.021	0.327
F3	-1.878	0.110	0.152
F4	1.532	-0.759	-0.007
F5	0.679	1.259	-0.182
H6	-0.705	-0.529	-1.382
H7	-0.858	-1.643	0.030
H8	0.408	0.100	1.424

	C1	C2	F3	F4	F5	H6	H7	H8
C1		1.5163	1.3759	2.3308	2.3550	1.1024	1.1019	2.1898
C2	1.5163		2.3564	1.3591	1.3546	2.1455	2.1494	1.1020
F3	1.3759	2.3564		3.5225	2.8236	2.0344	2.0319	2.6165
F4	2.3308	1.3591	3.5225		2.1975	2.6353	2.5479	2.0121
F5	2.3550	1.3546	2.8236	2.1975		2.5596	3.2904	1.9995
H6	1.1024	2.1455	2.0344	2.6353	2.5596		1.8046	3.0837
H7	1.1019	2.1494	2.0319	2.5479	3.2904	1.8046		2.5658
H8	2.1898	1.1020	2.6165	2.0121	1.9995	3.0837	2.5658

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.181	C1	C2	F5	110.099
C1	C2	H8	112.552	C2	C1	F3	109.028
C2	C1	H6	109.005	C2	C1	H7	109.337
F3	C1	H6	109.855	F3	C1	H7	109.683
F4	C2	F5	108.145	F4	C2	H8	109.240
F5	C2	H8	108.529	H6	C1	H7	109.913

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

using model chemistry: MP3/cc-pVDZ

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/cc-pVDZ

States and conformations

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