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	hartrees
Energy at 0K	-377.141680
Energy at 298.15K
HF Energy	-375.957931
Nuclear repulsion energy	192.088521

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3188	3188	19.91
2	A	3157	3157	19.71
3	A	3124	3124	14.14
4	A	1527	1527	4.98
5	A	1511	1511	16.56
6	A	1448	1448	22.01
7	A	1386	1386	18.34
8	A	1307	1307	17.81
9	A	1219	1219	103.43
10	A	1187	1187	174.59
11	A	1169	1169	63.72
12	A	1149	1149	28.26
13	A	941	941	27.99
14	A	601	601	4.54
15	A	488	488	19.33
16	A	441	441	5.55
17	A	250	250	8.32
18	A	120	120	8.42

Atom	x (Å)	y (Å)	z (Å)
C1	-0.775	-0.582	-0.285
C2	0.466	0.019	0.325
F3	-1.869	0.113	0.153
F4	1.519	-0.759	-0.005
F5	0.687	1.247	-0.181
H6	-0.713	-0.517	-1.366
H7	-0.863	-1.618	0.024
H8	0.408	0.100	1.405

	C1	C2	F3	F4	F5	H6	H7	H8
C1		1.5084	1.3681	2.3178	2.3437	1.0852	1.0848	2.1725
C2	1.5084		2.3437	1.3497	1.3454	2.1303	2.1304	1.0847
F3	1.3681	2.3437		3.5019	2.8160	2.0101	2.0072	2.5986
F4	2.3178	1.3497	3.5019		2.1779	2.6254	2.5318	1.9897
F5	2.3437	1.3454	2.8160	2.1779		2.5445	3.2635	1.9768
H6	1.0852	2.1303	2.0101	2.6254	2.5445		1.7799	3.0522
H7	1.0848	2.1304	2.0072	2.5318	3.2635	1.7799		2.5443
H8	2.1725	1.0847	2.5986	1.9897	1.9768	3.0522	2.5443

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.252	C1	C2	F5	110.294
C1	C2	H8	112.806	C2	C1	F3	109.040
C2	C1	H6	109.364	C2	C1	H7	109.398
F3	C1	H6	109.507	F3	C1	H7	109.293
F4	C2	F5	107.820	F4	C2	H8	109.152
F5	C2	H8	108.396	H6	C1	H7	110.219

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

using model chemistry: MP3=FULL/Def2TZVPP

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/Def2TZVPP

States and conformations

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