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	hartrees
Energy at 0K	-167.512247
Energy at 298.15K	-167.513120
Nuclear repulsion energy	56.690160

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3334	3303	49.46
2	A'	2240	2220	46.26
3	A'	1216	1205	94.29
4	A'	995	986	81.85
5	A'	447	443	19.15
6	A"	472	467	0.44

Atom	x (Å)	y (Å)
N1	0.073	1.368
C2	0.000	0.185
O3	-0.156	-1.136
H4	0.737	-1.604

	N1	C2	O3	H4
N1		1.1853	2.5142	3.0454
C2	1.1853		1.3299	1.9351
O3	2.5142	1.3299		1.0089
H4	3.0454	1.9351	1.0089

Number	Element	Mulliken
1	N	-0.398
2	C	0.529
3	O	-0.534
4	H	0.402

All results from a given calculation for HOCN (cyanic acid)

using model chemistry: PBEPBE/3-21G

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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	x	y	z	Total
	1.696	-3.399	0.000	3.798
CHELPG
AIM
ESP

	x	y	z
x	1.437	-0.142	0.000
y	-0.142	4.049	0.000
z	0.000	0.000	1.033

<r²>	0.000
(<r²>)^1/2	0.000