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	hartrees
Energy at 0K	-176.492200
Energy at 298.15K
HF Energy	-176.492200
Nuclear repulsion energy	55.334985

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	0	1	1	0.00
1	0_.83			0.00
1	0	0i		0.00
1	-_0.05			0.00
1	0			-0.27
1	0			0.56
1	0			0.04
1	0			0.00
1	0			0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.092
C2	0.000	0.000	-1.297
F3	0.000	0.000	1.189
H4	0.000	0.000	-2.366

	C1	C2	F3	H4
C1		1.2045	1.2806	2.2737
C2	1.2045		2.4851	1.0692
F3	1.2806	2.4851		3.5543
H4	2.2737	1.0692	3.5543

Number	Element	Mulliken
1	C	-0.147
2	C	0.880
3	F	-0.352
4	H	-0.382

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: B3PW91/aug-cc-pVDZ

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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<r²>	38.227
(<r²>)^1/2	6.183