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	hartrees
Energy at 0K	-338.162589
Energy at 298.15K
HF Energy	-337.898932
Nuclear repulsion energy	133.241564

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3177	3032	34.65	66.31	0.19	0.32
2	A₁	1145	1093	111.63	4.08	0.01	0.02
3	A₁	703	670	14.37	2.24	0.36	0.53
4	E	1423	1358	54.08	3.50	0.75	0.86
4	E	1423	1358	54.08	3.50	0.75	0.86
5	E	1155	1102	318.84	2.26	0.75	0.86
5	E	1155	1102	318.86	2.26	0.75	0.86
6	E	510	487	2.58	1.37	0.75	0.86
6	E	510	487	2.58	1.37	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.339
H2	0.000	0.000	1.425
F3	0.000	1.255	-0.128
F4	1.087	-0.628	-0.128
F5	-1.087	-0.628	-0.128

	C1	H2	F3	F4	F5
C1		1.0866	1.3392	1.3392	1.3392
H2	1.0866		1.9972	1.9972	1.9972
F3	1.3392	1.9972		2.1739	2.1739
F4	1.3392	1.9972	2.1739		2.1739
F5	1.3392	1.9972	2.1739	2.1739

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.407	H2	C1	F4	110.407
H2	C1	F5	110.407	F3	C1	F4	108.519
F3	C1	F5	108.519	F4	C1	F5	108.519

All results from a given calculation for CHF₃ (Methane, trifluoro-)

using model chemistry: B2PLYP=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 CHF3 (Methane, trifluoro-)

using model chemistry: B2PLYP=FULL/TZVP

States and conformations

All results from a given calculation for CHF₃ (Methane, trifluoro-)