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	hartrees
Energy at 0K	-168.513752
Energy at 298.15K	-168.514568
Nuclear repulsion energy	57.378009

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3667	3497	114.74
2	A'	2349	2240	86.93
3	A'	1208	1152	97.70
4	A'	1048	1000	113.07
5	A'	405	387	19.21
6	A"	444	423	0.70

Atom	x (Å)	y (Å)
N1	-0.005	1.358
C2	0.000	0.184
O3	-0.091	-1.127
H4	0.765	-1.597

	N1	C2	O3	H4
N1		1.1732	2.4858	3.0534
C2	1.1732		1.3143	1.9387
O3	2.4858	1.3143		0.9764
H4	3.0534	1.9387	0.9764

Number	Element	Mulliken
1	N	-0.187
2	C	0.325
3	O	-0.575
4	H	0.437

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

using model chemistry: B1B95/6-31G

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
	1.991	-3.400	0.000	3.940
CHELPG
AIM
ESP

	x	y	z
x	1.512	-0.229	0.000
y	-0.229	4.210	0.000
z	0.000	0.000	1.178

<r²>	0.000
(<r²>)^1/2	0.000