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	hartrees
Energy at 0K	-2514.378521
Energy at 298.15K
HF Energy	-2514.219537
Nuclear repulsion energy	134.178535

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	2014	2014	696.66	35.80	0.71	0.83
2	Σ	657	657	5.20	25.23	0.10	0.19
3	Π	461	461	0.28	0.57	0.75	0.86
3	Π	461	461	0.28	0.57	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.026
O2	0.000	0.000	-2.194
Se3	0.000	0.000	0.697

	C1	O2	Se3
C1		1.1684	1.7229
O2	1.1684		2.8913
Se3	1.7229	2.8913

Number	Element	Mulliken
1	C	-0.256
2	O	-0.186
3	Se	0.443

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

using model chemistry: B2PLYP/aug-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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<r²>	79.750
(<r²>)^1/2	8.930