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	hartrees
Energy at 0K	-166.351780
Energy at 298.15K	-166.352515
Nuclear repulsion energy	55.786027

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3771	3314	7.82
2	A'	2424	2130	7.74
3	A'	1413	1242	54.46
4	A'	1050	923	21.23
5	A'	414	364	10.49
6	A"	446	392	0.45

Atom	x (Å)	y (Å)
N1	-0.110	1.384
C2	0.000	0.190
O3	-0.024	-1.174
H4	0.964	-1.435

	N1	C2	O3	H4
N1		1.1993	2.5593	3.0169
C2	1.1993		1.3638	1.8893
O3	2.5593	1.3638		1.0220
H4	3.0169	1.8893	1.0220

Number	Element	Mulliken
1	N	-0.195
2	C	0.125
3	O	-0.183
4	H	0.253

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

using model chemistry: mPW1PW91/STO-3G

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
	1.672	-2.680	0.000	3.159
CHELPG
AIM
ESP

	x	y	z
x	0.978	-0.472	0.000
y	-0.472	2.792	0.000
z	0.000	0.000	0.456

<r²>	0.000
(<r²>)^1/2	0.000