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	hartrees
Energy at 0K	-376.931258
Energy at 298.15K
HF Energy	-375.939462
Nuclear repulsion energy	191.392176

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3205	2992	22.35
2	A	3172	2962	22.26
3	A	3136	2928	14.72
4	A	1541	1439	1.97
5	A	1519	1418	16.80
6	A	1468	1371	28.13
7	A	1400	1307	25.25
8	A	1315	1228	14.37
9	A	1214	1134	102.50
10	A	1181	1103	109.69
11	A	1168	1090	115.78
12	A	1144	1068	53.91
13	A	941	879	33.13
14	A	602	562	5.22
15	A	492	460	22.54
16	A	441	412	5.61
17	A	253	236	9.59
18	A	117	110	9.62

Atom	x (Å)	y (Å)	z (Å)
C1	-0.778	-0.583	-0.286
C2	0.467	0.020	0.325
F3	-1.877	0.114	0.153
F4	1.523	-0.763	-0.005
F5	0.692	1.251	-0.181
H6	-0.719	-0.517	-1.371
H7	-0.865	-1.621	0.027
H8	0.410	0.098	1.409

	C1	C2	F3	F4	F5	H6	H7	H8
C1		1.5125	1.3736	2.3254	2.3532	1.0882	1.0880	2.1795
C2	1.5125		2.3524	1.3550	1.3501	2.1377	2.1347	1.0881
F3	1.3736	2.3524		3.5150	2.8294	2.0156	2.0130	2.6095
F4	2.3254	1.3550	3.5150		2.1854	2.6366	2.5382	1.9945
F5	2.3532	1.3501	2.8294	2.1854		2.5559	3.2741	1.9835
H6	1.0882	2.1377	2.0156	2.6366	2.5559		1.7874	3.0626
H7	1.0880	2.1347	2.0130	2.5382	3.2741	1.7874		2.5485
H8	2.1795	1.0881	2.6095	1.9945	1.9835	3.0626	2.5485

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.251	C1	C2	F5	110.452
C1	C2	H8	112.858	C2	C1	F3	109.092
C2	C1	H6	109.479	C2	C1	H7	109.260
F3	C1	H6	109.371	F3	C1	H7	109.176
F4	C2	F5	107.781	F4	C2	H8	108.962
F5	C2	H8	108.406	H6	C1	H7	110.442

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

using model chemistry: MP3=FULL/TZVP

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/TZVP

States and conformations

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