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	hartrees
Energy at 0K	-377.054957
Energy at 298.15K
HF Energy	-375.943043
Nuclear repulsion energy	190.956331

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	3189	3189	11.26	29.76	0.68	0.81
2	A	3149	3149	17.09	81.50	0.25	0.40
3	A	3114	3114	13.54	118.30	0.05	0.10
4	A	1519	1519	6.50	3.33	0.75	0.86
5	A	1474	1474	13.05	1.33	0.54	0.70
6	A	1413	1413	15.51	2.05	0.74	0.85
7	A	1358	1358	12.03	1.26	0.75	0.86
8	A	1282	1282	12.68	3.37	0.64	0.78
9	A	1180	1180	79.37	3.88	0.63	0.77
10	A	1153	1153	14.03	2.03	0.19	0.32
11	A	1124	1124	251.86	0.68	0.40	0.57
12	A	1100	1100	29.86	7.32	0.33	0.50
13	A	924	924	34.97	4.62	0.20	0.33
14	A	580	580	3.68	2.02	0.21	0.34
15	A	480	480	18.92	0.51	0.72	0.84
16	A	429	429	5.26	1.28	0.39	0.56
17	A	244	244	8.41	0.06	0.49	0.66
18	A	121	121	8.40	0.04	0.74	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	-0.769	-0.592	-0.286
C2	0.464	0.020	0.330
F3	-1.878	0.107	0.151
F4	1.532	-0.757	-0.007
F5	0.676	1.260	-0.182
H6	-0.705	-0.524	-1.370
H7	-0.857	-1.630	0.029
H8	0.414	0.103	1.415

	C1	C2	F3	F4	F5	H6	H7	H8
C1		1.5078	1.3821	2.3235	2.3508	1.0885	1.0883	2.1844
C2	1.5078		2.3503	1.3634	1.3579	2.1337	2.1353	1.0887
F3	1.3821	2.3503		3.5214	2.8212	2.0220	2.0187	2.6165
F4	2.3235	1.3634	3.5214		2.1982	2.6299	2.5441	2.0032
F5	2.3508	1.3579	2.8212	2.1982		2.5491	3.2780	1.9888
H6	1.0885	2.1337	2.0220	2.6299	2.5491		1.7903	3.0656
H7	1.0883	2.1353	2.0187	2.5441	3.2780	1.7903		2.5571
H8	2.1844	1.0887	2.6165	2.0032	1.9888	3.0656	2.5571

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.938	C1	C2	F5	110.122
C1	C2	H8	113.571	C2	C1	F3	108.754
C2	C1	H6	109.474	C2	C1	H7	109.612
F3	C1	H6	109.281	F3	C1	H7	109.030
F4	C2	F5	107.761	F4	C2	H8	109.042
F5	C2	H8	108.251	H6	C1	H7	110.659

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

using model chemistry: MP2/daug-cc-pVTZ

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: MP2/daug-cc-pVTZ

States and conformations

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