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	hartrees
Energy at 0K	-376.636525
Energy at 298.15K
HF Energy	-375.809110
Nuclear repulsion energy	190.502680

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3253	3031	17.24
2	A	3223	3003	16.68
3	A	3179	2961	14.01
4	A	1557	1450	5.20
5	A	1512	1409	13.63
6	A	1445	1346	27.17
7	A	1381	1287	22.93
8	A	1298	1209	14.60
9	A	1203	1121	93.23
10	A	1174	1094	37.72
11	A	1153	1074	200.14
12	A	1124	1047	50.48
13	A	941	876	36.43
14	A	582	542	5.03
15	A	488	454	22.87
16	A	433	403	6.76
17	A	250	232	10.22
18	A	124	115	10.12

Atom	x (Å)	y (Å)	z (Å)
C1	-0.766	-0.598	-0.288
C2	0.463	0.020	0.333
F3	-1.880	0.106	0.152
F4	1.539	-0.756	-0.007
F5	0.671	1.264	-0.183
H6	-0.706	-0.526	-1.370
H7	-0.861	-1.634	0.026
H8	0.416	0.103	1.415

	C1	C2	F3	F4	F5	H6	H7	H8
C1		1.5093	1.3884	2.3278	2.3547	1.0866	1.0866	2.1881
C2	1.5093		2.3513	1.3694	1.3633	2.1370	2.1401	1.0863
F3	1.3884	2.3513		3.5292	2.8217	2.0234	2.0197	2.6200
F4	2.3278	1.3694	3.5292		2.2062	2.6369	2.5552	2.0051
F5	2.3547	1.3633	2.8217	2.2062		2.5518	3.2846	1.9924
H6	1.0866	2.1370	2.0234	2.6369	2.5518		1.7894	3.0681
H7	1.0866	2.1401	2.0197	2.5552	3.2846	1.7894		2.5636
H8	2.1881	1.0863	2.6200	2.0051	1.9924	3.0681	2.5636

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.820	C1	C2	F5	110.002
C1	C2	H8	113.921	C2	C1	F3	108.395
C2	C1	H6	109.736	C2	C1	H7	109.990
F3	C1	H6	109.066	F3	C1	H7	108.763
F4	C2	F5	107.669	F4	C2	H8	108.927
F5	C2	H8	108.322	H6	C1	H7	110.841

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

using model chemistry: MP3=FULL/6-31+G**

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/6-31+G**

States and conformations

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