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	hartrees
Energy at 0K	-175.708664
Energy at 298.15K
HF Energy	-175.708664
Nuclear repulsion energy	55.793835

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	Σ	3410	3383	115.85	25.55	0.25	0.40
2	Σ	2296	2278	145.95	85.28	0.03	0.05
3	Σ	1104	1095	78.23	11.44	0.17	0.29
4	Π	572	567	49.88	0.68	0.75	0.86
4	Π	572	567	49.88	0.68	0.75	0.86
5	Π	404	401	0.67	6.01	0.75	0.86
5	Π	404	401	0.67	6.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.088
C2	0.000	0.000	-1.286
F3	0.000	0.000	1.178
H4	0.000	0.000	-2.356

	C1	C2	F3	H4
C1		1.1975	1.2660	2.2679
C2	1.1975		2.4635	1.0704
F3	1.2660	2.4635		3.5339
H4	2.2679	1.0704	3.5339

Number	Element	Mulliken
1	C	0.448
2	C	-0.608
3	F	-0.211
4	H	0.371

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: SVWN/aug-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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<r²>	37.849
(<r²>)^1/2	6.152