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	hartrees
Energy at 0K	-34.708051
Energy at 298.15K	-34.711409
HF Energy	-34.324605
Nuclear repulsion energy	53.411011

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3608	3521	25.98
2	A'	3208	3131	5.34
3	A'	3071	2998	18.86
4	A'	1952	1905	27.77
5	A'	1510	1474	7.28
6	A'	1394	1361	46.92
7	A'	1250	1220	2.01
8	A'	1136	1109	104.76
9	A'	949	926	79.72
10	A'	910	889	120.91
11	A'	574	560	24.06
12	A'	213	208	0.39
13	A"	3170	3094	14.49
14	A"	1068	1042	0.92
15	A"	899	878	39.02
16	A"	607	592	0.59
17	A"	363	354	170.79
18	A"	262	256	2.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.690	-0.484	0.000
C2	0.000	0.666	0.000
C3	-0.671	1.831	0.000
O4	0.111	-1.805	0.000
H5	1.776	-0.548	0.000
H6	-0.955	2.327	0.934
H7	-0.955	2.327	-0.934
H8	-0.873	-1.749	0.000

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3413	2.6862	1.4417	1.0878	3.3891	3.3891	2.0108
C2	1.3413		1.3451	2.4728	2.1516	2.1322	2.1322	2.5677
C3	2.6862	1.3451		3.7192	3.4137	1.0952	1.0952	3.5862
O4	1.4417	2.4728	3.7192		2.0858	4.3685	4.3685	0.9857
H5	1.0878	2.1516	3.4137	2.0858		4.0747	4.0747	2.9085
H6	3.3891	2.1322	1.0952	4.3685	4.0747		1.8684	4.1830
H7	3.3891	2.1322	1.0952	4.3685	4.0747	1.8684		4.1830
H8	2.0108	2.5677	3.5862	0.9857	2.9085	4.1830	4.1830

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	178.953	C1	O4	H8	110.453
C2	C1	O4	125.343	C2	C1	H5	124.354
C2	C3	H6	121.459	C2	C3	H7	121.459
O4	C1	H5	110.303	H6	C3	H7	117.083

All results from a given calculation for C₃H₄O (allenol)

using model chemistry: MP2/CEP-121G

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	0.028
2	C	0.055
3	C	-0.403
4	O	-0.590
5	H	0.192
6	H	0.171
7	H	0.171
8	H	0.376

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H4O (allenol)

using model chemistry: MP2/CEP-121G

States and conformations

All results from a given calculation for C₃H₄O (allenol)