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	hartrees
Energy at 0K	-2514.533104
Energy at 298.15K
HF Energy	-2514.533104
Nuclear repulsion energy	135.731980

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	Σ	2122	2122	760.31	25.92	0.61	0.76
2	Σ	675	675	6.84	15.00	0.14	0.25
3	Π	483	483	0.82	0.54	0.75	0.86
3	Π	483	483	0.82	0.54	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.018
O2	0.000	0.000	-2.167
Se3	0.000	0.000	0.689

	C1	O2	Se3
C1		1.1493	1.7071
O2	1.1493		2.8563
Se3	1.7071	2.8563

Number	Element	Mulliken
1	C	0.129
2	O	-0.109
3	Se	-0.020

All results from a given calculation for OCSe (Carbonyl selenide)

using model chemistry: PBE1PBE/Def2TZVPP

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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<r²>	78.012
(<r²>)^1/2	8.832