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	hartrees
Energy at 0K	-149.726105
Energy at 298.15K	-149.727218
HF Energy	-149.726105
Nuclear repulsion energy	58.316423

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	3672	2998	78.42	47.93	0.12	0.21
2	A₁	2522	2059	320.89	0.32	0.38	0.55
3	A₁	1696	1385	7.44	9.23	0.71	0.83
4	A₁	1324	1081	1.56	23.99	0.35	0.52
5	B₁	861	703	71.30	0.24	0.75	0.86
6	B₁	548	447	31.70	2.24	0.75	0.86
7	B₂	3835	3131	12.66	40.43	0.75	0.86
8	B₂	1178	962	2.93	0.03	0.75	0.86
9	B₂	461	376	5.07	0.16	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.208
C2	0.000	0.092
O3	0.000	1.274
H4	0.928	-1.750
H5	-0.928	-1.750

	C1	C2	O3	H4	H5
C1		1.2996	2.4823	1.0750	1.0750
C2	1.2996		1.1827	2.0622	2.0622
O3	2.4823	1.1827		3.1633	3.1633
H4	1.0750	2.0622	3.1633		1.8570
H5	1.0750	2.0622	3.1633	1.8570

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	120.260
C2	C1	H5	120.260		H4	C1	H5	119.480

All results from a given calculation for CH₂CO (Ketene)

using model chemistry: HF/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	-0.246
2	C	0.260
3	O	-0.186
4	H	0.087
5	H	0.087

	x	y	z	Total
	0.000	0.000	-0.839	0.839
CHELPG
AIM
ESP

<r²>	39.696
(<r²>)^1/2	6.300

All results from a given calculation for CH2CO (Ketene)

using model chemistry: HF/STO-3G

States and conformations

All results from a given calculation for CH₂CO (Ketene)