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	hartrees
Energy at 0K	-376.790551
Energy at 298.15K
HF Energy	-375.836310
Nuclear repulsion energy	188.297533

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3158	3085
2	A	3125	3053
3	A	3091	3019
4	A	1551	1515
5	A	1495	1461
6	A	1447	1414
7	A	1370	1338
8	A	1277	1248
9	A	1187	1159
10	A	1171	1144
11	A	1138	1112
12	A	1105	1080
13	A	934	912
14	A	570	557
15	A	484	472
16	A	424	414
17	A	239	234
18	A	127	125

Atom	x (Å)	y (Å)	z (Å)
C1	-0.771	-0.608	-0.289
C2	0.465	0.019	0.338
F3	-1.901	0.106	0.152
F4	1.559	-0.761	-0.008
F5	0.675	1.279	-0.185
H6	-0.712	-0.538	-1.388
H7	-0.870	-1.656	0.038
H8	0.423	0.106	1.436

	C1	C2	F3	F4	F5	H6	H7	H8
C1		1.5206	1.4076	2.3516	2.3793	1.1028	1.1030	2.2160
C2	1.5206		2.3745	1.3879	1.3804	2.1618	2.1626	1.1026
F3	1.4076	2.3745		3.5705	2.8502	2.0496	2.0453	2.6550
F4	2.3516	1.3879	3.5705		2.2309	2.6665	2.5885	2.0321
F5	2.3793	1.3804	2.8502	2.2309		2.5832	3.3245	2.0171
H6	1.1028	2.1618	2.0496	2.6665	2.5832		1.8195	3.1112
H7	1.1030	2.1626	2.0453	2.5885	3.3245	1.8195		2.5941
H8	2.2160	1.1026	2.6550	2.0321	2.0171	3.1112	2.5941

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.816	C1	C2	F5	110.109
C1	C2	H8	114.352	C2	C1	F3	108.303
C2	C1	H6	109.963	C2	C1	H7	110.009
F3	C1	H6	108.855	F3	C1	H7	108.499
F4	C2	F5	107.393	F4	C2	H8	108.820
F5	C2	H8	108.130	H6	C1	H7	111.145

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

using model chemistry: MP4/aug-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: MP4/aug-cc-pVDZ

States and conformations

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