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	hartrees
Energy at 0K	-191.038127
Energy at 298.15K	-191.041472
HF Energy	-190.658837
Nuclear repulsion energy	99.166582

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3641	3515	28.35
2	A'	3255	3142	5.97
3	A'	3120	3012	15.92
4	A'	1986	1917	24.74
5	A'	1520	1467	11.21
6	A'	1399	1351	46.20
7	A'	1258	1214	2.23
8	A'	1149	1110	106.29
9	A'	945	912	89.60
10	A'	912	880	121.55
11	A'	586	566	23.89
12	A'	204	197	0.32
13	A"	3217	3105	14.44
14	A"	1063	1026	0.30
15	A"	904	872	40.86
16	A"	614	592	0.01
17	A"	400	387	192.77
18	A"	252	243	3.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.684	-0.485	0.000
C2	0.000	0.667	0.000
C3	-0.667	1.833	0.000
O4	0.113	-1.804	0.000
H5	1.771	-0.553	0.000
H6	-0.949	2.332	0.935
H7	-0.949	2.332	-0.935
H8	-0.873	-1.769	0.000

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3402	2.6835	1.4368	1.0886	3.3879	3.3879	2.0178
C2	1.3402		1.3434	2.4733	2.1503	2.1321	2.1321	2.5876
C3	2.6835	1.3434		3.7194	3.4113	1.0963	1.0963	3.6076
O4	1.4368	2.4733	3.7194		2.0766	4.3707	4.3707	0.9863
H5	1.0886	2.1503	3.4113	2.0766		4.0736	4.0736	2.9096
H6	3.3879	2.1321	1.0963	4.3707	4.0736		1.8693	4.2064
H7	3.3879	2.1321	1.0963	4.3707	4.0736	1.8693		4.2064
H8	2.0178	2.5876	3.6076	0.9863	2.9096	4.2064	4.2064

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.096	C1	O4	H8	111.408
C2	C1	O4	125.874	C2	C1	H5	124.262
C2	C3	H6	121.509	C2	C3	H7	121.509
O4	C1	H5	109.864	H6	C3	H7	116.981

All results from a given calculation for C₃H₄O (allenol)

using model chemistry: MP2/SDD

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	0.029
2	C	-0.049
3	C	-0.413
4	O	-0.620
5	H	0.232
6	H	0.208
7	H	0.208
8	H	0.405

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H4O (allenol)

using model chemistry: MP2/SDD

States and conformations

All results from a given calculation for C₃H₄O (allenol)