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	hartrees
Energy at 0K	-191.412724
Energy at 298.15K	-191.416169
HF Energy	-190.750389
Nuclear repulsion energy	101.867061

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3819	3617	34.56
2	A'	3244	3073	4.46
3	A'	3151	2984	13.47
4	A'	2051	1942	46.04
5	A'	1523	1442	49.06
6	A'	1441	1365	59.76
7	A'	1316	1246	3.32
8	A'	1219	1154	151.15
9	A'	999	946	104.97
10	A'	916	868	40.33
11	A'	619	587	24.96
12	A'	208	197	0.58
13	A"	3235	3064	6.04
14	A"	1052	996	0.70
15	A"	911	863	32.84
16	A"	636	602	0.09
17	A"	425	403	138.31
18	A"	253	239	5.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.657	-0.495	0.000
C2	0.000	0.644	0.000
C3	-0.645	1.790	0.000
O4	0.110	-1.751	0.000
H5	1.741	-0.538	0.000
H6	-0.922	2.288	0.926
H7	-0.922	2.288	-0.926
H8	-0.849	-1.663	0.000

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3155	2.6300	1.3697	1.0843	3.3316	3.3316	1.9061
C2	1.3155		1.3146	2.3973	2.1046	2.1000	2.1000	2.4581
C3	2.6300	1.3146		3.6199	3.3334	1.0875	1.0875	3.4584
O4	1.3697	2.3973	3.6199		2.0324	4.2699	4.2699	0.9631
H5	1.0843	2.1046	3.3334	2.0324		3.9923	3.9923	2.8238
H6	3.3316	2.1000	1.0875	4.2699	3.9923		1.8521	4.0581
H7	3.3316	2.1000	1.0875	4.2699	3.9923	1.8521		4.0581
H8	1.9061	2.4581	3.4584	0.9631	2.8238	4.0581	4.0581

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.383	C1	O4	H8	108.322
C2	C1	O4	126.442	C2	C1	H5	122.261
C2	C3	H6	121.625	C2	C3	H7	121.625
O4	C1	H5	111.297	H6	C3	H7	116.749

All results from a given calculation for C₃H₄O (allenol)

using model chemistry: MP2=FULL/6-311G*

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	0.050
2	C	-0.092
3	C	-0.492
4	O	-0.620
5	H	0.248
6	H	0.239
7	H	0.239
8	H	0.429

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H4O (allenol)

using model chemistry: MP2=FULL/6-311G*

States and conformations

All results from a given calculation for C₃H₄O (allenol)