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	hartrees
Energy at 0K	-168.680410
Energy at 298.15K	-168.681340
Nuclear repulsion energy	58.210226

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3737	3611	106.70
2	A'	2385	2304	118.27
3	A'	1258	1215	120.48
4	A'	1100	1063	66.97
5	A'	453	437	16.83
6	A"	515	498	4.14

Atom	x (Å)	y (Å)
N1	0.072	1.334
C2	0.000	0.181
O3	-0.151	-1.108
H4	0.705	-1.560

	N1	C2	O3	H4
N1		1.1555	2.4521	2.9625
C2	1.1555		1.2974	1.8781
O3	2.4521	1.2974		0.9681
H4	2.9625	1.8781	0.9681

Number	Element	Mulliken
1	N	-0.290
2	C	0.310
3	O	-0.463
4	H	0.443

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

using model chemistry: B3LYP/6-311G*

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
	1.570	-3.683	0.000	4.004
CHELPG
AIM
ESP

	x	y	z
x	1.773	-0.052	0.000
y	-0.052	4.127	0.000
z	0.000	0.000	1.522

<r²>	0.000
(<r²>)^1/2	0.000