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	hartrees
Energy at 0K	-527.799875
Energy at 298.15K
HF Energy	-527.635199
Nuclear repulsion energy	95.582619

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1261	1261	4.19
2	A'	1114	1114	122.34
3	A'	287	287	32.53

Atom	x (Å)	y (Å)
S1	0.000	0.319
N2	1.429	-0.152
O3	-1.251	-0.504

	S1	N2	O3
S1		1.5050	1.4973
N2	1.5050		2.7032
O3	1.4973	2.7032

Number	Element	Mulliken
1	S	0.668
2	N	-0.267
3	O	-0.400

All results from a given calculation for NSO (sulfinyl amidogen)

using model chemistry: B2PLYP/cc-pCVDZ

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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-0.038	1.360	0.000	1.361
CHELPG
AIM
ESP

	x	y	z
x	5.328	-0.007	0.000
y	-0.007	2.178	0.000
z	0.000	0.000	1.884

<r²>	45.604
(<r²>)^1/2	6.753