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	hartrees
Energy at 0K	-168.603086
Energy at 298.15K	-168.604022
Nuclear repulsion energy	58.105226

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3789	3631	160.84
2	A'	2421	2320	124.03
3	A'	1262	1210	92.94
4	A'	1125	1078	64.12
5	A'	453	434	14.25
6	A"	513	491	3.84

Atom	x (Å)	y (Å)
N1	0.106	1.334
C2	0.000	0.177
O3	-0.179	-1.107
H4	0.686	-1.547

	N1	C2	O3	H4
N1		1.1623	2.4582	2.9387
C2	1.1623		1.2965	1.8550
O3	2.4582	1.2965		0.9699
H4	2.9387	1.8550	0.9699

Number	Element	Mulliken
1	N	-0.193
2	C	0.114
3	O	-0.127
4	H	0.206

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

using model chemistry: mPW1PW91/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
	1.320	-3.641	0.000	3.873
CHELPG
AIM
ESP

	x	y	z
x	1.733	0.008	0.000
y	0.008	3.956	0.000
z	0.000	0.000	1.479

<r²>	0.000
(<r²>)^1/2	0.000