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	hartrees
Energy at 0K	-376.810136
Energy at 298.15K
HF Energy	-375.839085
Nuclear repulsion energy	188.588336

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3155	3155
2	A	3125	3125
3	A	3079	3079
4	A	1477	1477
5	A	1438	1438
6	A	1372	1372
7	A	1320	1320
8	A	1242	1242
9	A	1152	1152
10	A	1119	1119
11	A	1068	1068
12	A	1041	1041
13	A	893	893
14	A	556	556
15	A	465	465
16	A	414	414
17	A	236	236
18	A	117	117

Atom	x (Å)	y (Å)	z (Å)
C1	-0.770	-0.606	-0.289
C2	0.465	0.020	0.335
F3	-1.898	0.106	0.152
F4	1.556	-0.761	-0.008
F5	0.674	1.278	-0.184
H6	-0.713	-0.540	-1.386
H7	-0.867	-1.653	0.041
H8	0.422	0.104	1.433

	C1	C2	F3	F4	F5	H6	H7	H8
C1		1.5189	1.4049	2.3483	2.3764	1.1014	1.1016	2.2108
C2	1.5189		2.3718	1.3849	1.3776	2.1598	2.1586	1.1012
F3	1.4049	2.3718		3.5650	2.8462	2.0465	2.0423	2.6498
F4	2.3483	1.3849	3.5650		2.2287	2.6639	2.5827	2.0277
F5	2.3764	1.3776	2.8462	2.2287		2.5830	3.3192	2.0139
H6	1.1014	2.1598	2.0465	2.6639	2.5830		1.8166	3.1062
H7	1.1016	2.1586	2.0423	2.5827	3.3192	1.8166		2.5860
H8	2.2108	1.1012	2.6498	2.0277	2.0139	3.1062	2.5860

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.851	C1	C2	F5	110.165
C1	C2	H8	114.142	C2	C1	F3	108.364
C2	C1	H6	110.004	C2	C1	H7	109.898
F3	C1	H6	108.882	F3	C1	H7	108.534
F4	C2	F5	107.564	F4	C2	H8	108.762
F5	C2	H8	108.158	H6	C1	H7	111.095

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

using model chemistry: MP4=FULL/daug-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=FULL/daug-cc-pVDZ

States and conformations

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