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	hartrees
Energy at 0K	-176.379634
Energy at 298.15K
HF Energy	-176.239170
Nuclear repulsion energy	55.189529

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	3545	3365	82.79	28.16	0.21	0.35
2	Σ	2321	2203	92.86	25.60	0.25	0.40
3	Σ	1084	1029	68.95	8.35	0.23	0.38
4	Π	588	558	41.76	0.01	0.75	0.86
4	Π	588	558	41.76	0.01	0.75	0.86
5	Π	364	346	5.92	11.04	0.75	0.86
5	Π	364	346	5.92	11.04	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.096
C2	0.000	0.000	-1.300
F3	0.000	0.000	1.193
H4	0.000	0.000	-2.363

	C1	C2	F3	H4
C1		1.2043	1.2884	2.2670
C2	1.2043		2.4927	1.0627
F3	1.2884	2.4927		3.5554
H4	2.2670	1.0627	3.5554

Number	Element	Mulliken
1	C	0.118
2	C	-0.141
3	F	-0.192
4	H	0.215

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: B2PLYP/6-31G*

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>	38.040
(<r²>)^1/2	6.168