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	hartrees
Energy at 0K	-168.601894
Energy at 298.15K	-168.602767
Nuclear repulsion energy	56.903833

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3672	3530	113.56
2	A'	2295	2207	96.58
3	A'	1190	1144	102.30
4	A'	1020	981	111.07
5	A'	441	424	19.07
6	A"	483	465	0.19

Atom	x (Å)	y (Å)
N1	-0.026	1.369
C2	0.000	0.185
O3	-0.076	-1.137
H4	0.792	-1.597

	N1	C2	O3	H4
N1		1.1843	2.5072	3.0765
C2	1.1843		1.3249	1.9497
O3	2.5072	1.3249		0.9816
H4	3.0765	1.9497	0.9816

Number	Element	Mulliken
1	N	-0.074
2	C	0.045
3	O	-0.391
4	H	0.420

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

using model chemistry: B3LYP/SDD

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
	2.039	-3.431	0.000	3.991
CHELPG
AIM
ESP

	x	y	z
x	1.680	-0.275	0.000
y	-0.275	4.437	0.000
z	0.000	0.000	1.352

<r²>	0.000
(<r²>)^1/2	0.000