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	hartrees
Energy at 0K	-191.329139
Energy at 298.15K	-191.332509
HF Energy	-190.727461
Nuclear repulsion energy	101.637863

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3847	3613	45.99
2	A'	3296	3096	2.57
3	A'	3205	3010	11.83
4	A'	2060	1934	42.23
5	A'	1536	1443	29.62
6	A'	1436	1349	63.97
7	A'	1280	1202	11.62
8	A'	1206	1132	125.77
9	A'	993	932	130.58
10	A'	928	871	38.90
11	A'	614	576	25.88
12	A'	202	189	0.33
13	A"	3295	3094	3.42
14	A"	1056	992	1.77
15	A"	904	849	32.43
16	A"	631	593	0.06
17	A"	386	362	127.40
18	A"	239	224	7.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.667	-0.488	0.000
C2	0.000	0.646	0.000
C3	-0.655	1.788	0.000
O4	0.113	-1.754	0.000
H5	1.746	-0.529	0.000
H6	-0.935	2.279	0.924
H7	-0.935	2.279	-0.924
H8	-0.850	-1.668	0.000

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3159	2.6323	1.3817	1.0798	3.3283	3.3283	1.9219
C2	1.3159		1.3164	2.4032	2.1043	2.0962	2.0962	2.4657
C3	2.6323	1.3164		3.6246	3.3365	1.0829	1.0829	3.4615
O4	1.3817	2.4032	3.6246		2.0412	4.2686	4.2686	0.9677
H5	1.0798	2.1043	3.3365	2.0412		3.9906	3.9906	2.8352
H6	3.3283	2.0962	1.0829	4.2686	3.9906		1.8473	4.0547
H7	3.3283	2.0962	1.0829	4.2686	3.9906	1.8473		4.0547
H8	1.9219	2.4657	3.4615	0.9677	2.8352	4.0547	4.0547

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.419	C1	O4	H8	108.499
C2	C1	O4	125.952	C2	C1	H5	122.587
C2	C3	H6	121.468	C2	C3	H7	121.468
O4	C1	H5	111.461	H6	C3	H7	117.063

All results from a given calculation for C₃H₄O (allenol)

using model chemistry: MP2=FULL/6-31+G**

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	-0.049
2	C	-0.229
3	C	-0.028
4	O	-0.558
5	H	0.172
6	H	0.160
7	H	0.160
8	H	0.371

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H4O (allenol)

using model chemistry: MP2=FULL/6-31+G**

States and conformations

All results from a given calculation for C₃H₄O (allenol)