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	hartrees
Energy at 0K	-188.482698
Energy at 298.15K	-188.485987
HF Energy	-188.251191
Nuclear repulsion energy	99.984509

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3870	3440	35.10
2	A'	3489	3102	5.09
3	A'	3413	3033	1.62
4	A'	2150	1911	59.51
5	A'	1668	1483	7.37
6	A'	1604	1426	27.21
7	A'	1469	1306	13.13
8	A'	1245	1107	23.28
9	A'	1031	917	33.49
10	A'	970	862	12.48
11	A'	637	567	8.06
12	A'	208	185	0.81
13	A"	3548	3154	0.07
14	A"	1140	1013	0.32
15	A"	982	873	10.07
16	A"	642	571	1.67
17	A"	460	409	71.85
18	A"	269	239	0.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.692	-0.471	0.000
C2	0.000	0.663	0.000
C3	-0.707	1.781	0.000
O4	0.147	-1.787	0.000
H5	1.797	-0.491	0.000
H6	-1.018	2.280	0.933
H7	-1.018	2.280	-0.933
H8	-0.854	-1.605	0.000

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3284	2.6508	1.4249	1.1052	3.3708	3.3708	1.9175
C2	1.3284		1.3225	2.4546	2.1358	2.1264	2.1264	2.4234
C3	2.6508	1.3225		3.6688	3.3808	1.1030	1.1030	3.3891
O4	1.4249	2.4546	3.6688		2.0986	4.3325	4.3325	1.0174
H5	1.1052	2.1358	3.3808	2.0986		4.0586	4.0586	2.8758
H6	3.3708	2.1264	1.1030	4.3325	4.0586		1.8661	3.9990
H7	3.3708	2.1264	1.1030	4.3325	4.0586	1.8661		3.9990
H8	1.9175	2.4234	3.3891	1.0174	2.8758	3.9990	3.9990

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.111	C1	O4	H8	102.177
C2	C1	O4	126.097	C2	C1	H5	122.443
C2	C3	H6	122.228	C2	C3	H7	122.228
O4	C1	H5	111.460	H6	C3	H7	115.542

All results from a given calculation for C₃H₄O (allenol)

using model chemistry: MP2=FULL/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	0.022
2	C	-0.041
3	C	-0.139
4	O	-0.248
5	H	0.080
6	H	0.070
7	H	0.070
8	H	0.185

<r²>	89.311
(<r²>)^1/2	9.450

All results from a given calculation for C3H4O (allenol)

using model chemistry: MP2=FULL/STO-3G

States and conformations

All results from a given calculation for C₃H₄O (allenol)