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	hartrees
Energy at 0K	-168.459307
Energy at 298.15K
HF Energy	-168.281057
Nuclear repulsion energy	59.930939

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	3514	3514	268.04	39.21	0.21	0.34
2	Σ	2265	2265	432.09	32.67	0.04	0.08
3	Σ	1274	1274	99.60	34.83	0.18	0.31
4	Π	534	534	5.58	0.05	0.75	0.86
4	Π	534	534	5.58	0.05	0.75	0.86
5	Π	220i	220i	68.83	4.63	0.75	0.86
5	Π	220i	220i	68.83	4.63	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.192
N2	0.000	0.000	-0.018
C3	0.000	0.000	-1.192
H4	0.000	0.000	-2.258

	O1	N2	C3	H4
O1		1.2105	2.3842	3.4502
N2	1.2105		1.1737	2.2397
C3	2.3842	1.1737		1.0660
H4	3.4502	2.2397	1.0660

Number	Element	Mulliken
1	O	-1.189
2	N	2.265
3	C	-0.120
4	H	-0.956

All results from a given calculation for HCNO (fulminic acid)

using model chemistry: B2PLYP/daug-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>	35.083
(<r²>)^1/2	5.923