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	hartrees
Energy at 0K	-168.581650
Energy at 298.15K	-168.582573
Nuclear repulsion energy	57.976700

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3758	3626	155.17
2	A'	2397	2313	118.84
3	A'	1254	1210	91.24
4	A'	1113	1074	64.17
5	A'	447	431	13.82
6	A"	506	488	3.05

Atom	x (Å)	y (Å)
N1	0.092	1.339
C2	0.000	0.177
O3	-0.168	-1.111
H4	0.702	-1.544

	N1	C2	O3	H4
N1		1.1650	2.4635	2.9462
C2	1.1650		1.2993	1.8587
O3	2.4635	1.2993		0.9721
H4	2.9462	1.8587	0.9721

Number	Element	Mulliken
1	N	-0.187
2	C	0.103
3	O	-0.124
4	H	0.208

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

using model chemistry: B3PW91/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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	x	y	z	Total
	1.355	-3.624	0.000	3.869
CHELPG
AIM
ESP

	x	y	z
x	1.739	-0.018	0.000
y	-0.018	3.991	0.000
z	0.000	0.000	1.484

<r²>	0.000
(<r²>)^1/2	0.000