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	hartrees
Energy at 0K	-377.149400
Energy at 298.15K
HF Energy	-375.936341
Nuclear repulsion energy	191.365695

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3150	3033
2	A	3127	3011
3	A	3098	2984
4	A	1518	1462
5	A	1480	1425
6	A	1424	1371
7	A	1364	1313
8	A	1286	1239
9	A	1184	1140
10	A	1157	1114
11	A	1133	1091
12	A	1107	1066
13	A	923	889
14	A	583	562
15	A	480	462
16	A	431	415
17	A	242	233
18	A	128	123

Atom	x (Å)	y (Å)	z (Å)
C1	-0.766	-0.592	-0.282
C2	0.465	0.020	0.328
F3	-1.874	0.104	0.149
F4	1.532	-0.754	-0.008
F5	0.668	1.260	-0.180
H6	-0.695	-0.530	-1.364
H7	-0.849	-1.628	0.035
H8	0.411	0.099	1.409

	C1	C2	F3	F4	F5	H6	H7	H8
C1		1.5045	1.3776	2.3199	2.3450	1.0864	1.0863	2.1732
C2	1.5045		2.3475	1.3604	1.3551	2.1243	2.1286	1.0853
F3	1.3776	2.3475		3.5158	2.8119	2.0200	2.0161	2.6093
F4	2.3199	1.3604	3.5158		2.1976	2.6165	2.5370	1.9989
F5	2.3450	1.3551	2.8119	2.1976		2.5424	3.2695	1.9849
H6	1.0864	2.1243	2.0200	2.6165	2.5424		1.7850	3.0511
H7	1.0863	2.1286	2.0161	2.5370	3.2695	1.7850		2.5417
H8	2.1732	1.0853	2.6093	1.9989	1.9849	3.0511	2.5417

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.038	C1	C2	F5	110.068
C1	C2	H8	113.102	C2	C1	F3	108.995
C2	C1	H6	109.082	C2	C1	H7	109.435
F3	C1	H6	109.569	F3	C1	H7	109.252
F4	C2	F5	108.051	F4	C2	H8	109.113
F5	C2	H8	108.350	H6	C1	H7	110.485

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

using model chemistry: MP4=FULL/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: MP4=FULL/cc-pVTZ

States and conformations

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