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	hartrees
Energy at 0K	-150.526171
Energy at 298.15K	-150.526940
HF Energy	-150.526171
Nuclear repulsion energy	56.252504

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3301	3054	54.71	52.67	0.11	0.20
2	A₁	2201	2036	99.52	0.95	0.39	0.56
3	A₁	1486	1375	11.98	12.18	0.75	0.86
4	A₁	1135	1050	0.07	16.85	0.33	0.50
5	B₁	618	572	58.23	0.07	0.75	0.86
6	B₁	414	383	22.51	1.11	0.75	0.86
7	B₂	3443	3185	11.18	43.56	0.75	0.86
8	B₂	1021	945	2.97	0.09	0.75	0.86
9	B₂	386	357	0.51	0.04	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.252
C2	0.000	0.089
O3	0.000	1.324
H4	0.949	-1.808
H5	-0.949	-1.808

	C1	C2	O3	H4	H5
C1		1.3410	2.5766	1.1002	1.1002
C2	1.3410		1.2356	2.1213	2.1213
O3	2.5766	1.2356		3.2733	3.2733
H4	1.1002	2.1213	3.2733		1.8986
H5	1.1002	2.1213	3.2733	1.8986

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	120.361
C2	C1	H5	120.361		H4	C1	H5	119.278

All results from a given calculation for CH₂CO (Ketene)

using model chemistry: BLYP/STO-3G

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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Number	Element	Mulliken
1	C	-0.237
2	C	0.150
3	O	-0.103
4	H	0.095
5	H	0.095

	x	y	z	Total
	0.000	0.000	-0.596	0.596
CHELPG
AIM
ESP

<r²>	41.616
(<r²>)^1/2	6.451

All results from a given calculation for CH2CO (Ketene)

using model chemistry: BLYP/STO-3G

States and conformations

All results from a given calculation for CH₂CO (Ketene)