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	hartrees
Energy at 0K	-191.212558
Energy at 298.15K	-191.216127
HF Energy	-190.708165
Nuclear repulsion energy	102.309886

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3899	3609	43.10
2	A'	3328	3081	5.50
3	A'	3240	3000	13.08
4	A'	2169	2008	35.30
5	A'	1592	1474	63.15
6	A'	1496	1385	65.64
7	A'	1356	1255	2.26
8	A'	1262	1169	129.34
9	A'	1049	971	123.94
10	A'	986	913	38.20
11	A'	652	603	22.36
12	A'	223	207	0.89
13	A"	3315	3069	8.51
14	A"	1094	1013	1.26
15	A"	958	886	20.90
16	A"	662	613	1.87
17	A"	415	385	147.36
18	A"	290	268	2.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.659	-0.485	0.000
C2	0.000	0.642	0.000
C3	-0.650	1.774	0.000
O4	0.114	-1.742	0.000
H5	1.738	-0.523	0.000
H6	-0.932	2.269	0.921
H7	-0.932	2.269	-0.921
H8	-0.846	-1.662	0.000

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3058	2.6111	1.3699	1.0798	3.3119	3.3119	1.9104
C2	1.3058		1.3054	2.3867	2.0926	2.0895	2.0895	2.4539
C3	2.6111	1.3054		3.5982	3.3136	1.0833	1.0833	3.4412
O4	1.3699	2.3867	3.5982		2.0308	4.2468	4.2468	0.9636
H5	1.0798	2.0926	3.3136	2.0308		3.9720	3.9720	2.8240
H6	3.3119	2.0895	1.0833	4.2468	3.9720		1.8423	4.0385
H7	3.3119	2.0895	1.0833	4.2468	3.9720	1.8423		4.0385
H8	1.9104	2.4539	3.4412	0.9636	2.8240	4.0385	4.0385

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.530	C1	O4	H8	108.652
C2	C1	O4	126.231	C2	C1	H5	122.327
C2	C3	H6	121.755	C2	C3	H7	121.755
O4	C1	H5	111.442	H6	C3	H7	116.490

All results from a given calculation for C₃H₄O (allenol)

using model chemistry: CISD/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	0.075
2	C	0.047
3	C	-0.470
4	O	-0.712
5	H	0.213
6	H	0.196
7	H	0.196
8	H	0.454

<r²>	87.426
(<r²>)^1/2	9.350

All results from a given calculation for C3H4O (allenol)

using model chemistry: CISD/6-31G*

States and conformations

All results from a given calculation for C₃H₄O (allenol)