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	hartrees
Energy at 0K	-152.605354
Energy at 298.15K	-152.606388
HF Energy	-152.605354
Nuclear repulsion energy	58.172842

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	3208	3076	22.15	104.28	0.12	0.21
2	A₁	2225	2133	502.01	2.08	0.48	0.65
3	A₁	1426	1367	15.30	3.76	0.62	0.77
4	A₁	1172	1124	6.69	29.14	0.30	0.46
5	B₁	587	562	52.57	0.47	0.75	0.86
6	B₁	519	498	94.12	3.29	0.75	0.86
7	B₂	3305	3169	5.73	61.80	0.75	0.86
8	B₂	994	953	7.00	0.04	0.75	0.86
9	B₂	432	414	2.31	0.00	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.216
C2	0.000	0.100
O3	0.000	1.275
H4	0.940	-1.751
H5	-0.940	-1.751

	C1	C2	O3	H4	H5
C1		1.3166	2.4912	1.0815	1.0815
C2	1.3166		1.1746	2.0764	2.0764
O3	2.4912	1.1746		3.1688	3.1688
H4	1.0815	2.0764	3.1688		1.8798
H5	1.0815	2.0764	3.1688	1.8798

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O3	180.000		C2	C1	H4	119.646
C2	C1	H5	119.646		H4	C1	H5	120.709

All results from a given calculation for CH₂CO (Ketene)

using model chemistry: TPSSh/6-31G**

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	-0.440
2	C	0.462
3	O	-0.379
4	H	0.179
5	H	0.179

	x	y	z	Total
	0.000	0.000	-1.482	1.482
CHELPG
AIM
ESP

<r²>	40.403
(<r²>)^1/2	6.356

All results from a given calculation for CH2CO (Ketene)

using model chemistry: TPSSh/6-31G**

States and conformations

All results from a given calculation for CH₂CO (Ketene)