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	hartrees
Energy at 0K	-271.888237
Energy at 298.15K	-271.886423
Nuclear repulsion energy	92.511652

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2736	2405	0.00
2	Σ_g	811	712	0.00
3	Σ_u	1435	1261	69.06
4	Π_g	124	109	0.00
4	Π_g	124	109	0.00
5	Π_u	270	238	0.03
5	Π_u	270	238	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.601
C2	0.000	0.000	-0.601
F3	0.000	0.000	1.931
F4	0.000	0.000	-1.931

	C1	C2	F3	F4
C1		1.2026	1.3292	2.5318
C2	1.2026		2.5318	1.3292
F3	1.3292	2.5318		3.8610
F4	2.5318	1.3292	3.8610

Number	Element	Mulliken
1	C	0.014
2	C	0.014
3	F	-0.014
4	F	-0.014

All results from a given calculation for C₂F₂ (difluoroacetylene)

using model chemistry: mPW1PW91/STO-3G

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>	82.356
(<r²>)^1/2	9.075

All results from a given calculation for C2F2 (difluoroacetylene)

using model chemistry: mPW1PW91/STO-3G

States and conformations

All results from a given calculation for C₂F₂ (difluoroacetylene)