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	hartrees
Energy at 0K	-191.387824
Energy at 298.15K	-191.391208
HF Energy	-190.769586
Nuclear repulsion energy	102.162104

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3306	3080	6.52
2	A	3226	3005	18.21
3	A	3207	2988	18.00
4	A	3133	2919	35.35
5	A	2261	2106	739.99
6	A	1569	1462	4.90
7	A	1533	1428	5.59
8	A	1483	1382	5.07
9	A	1464	1364	12.13
10	A	1191	1109	1.17
11	A	1126	1049	8.34
12	A	1090	1015	1.41
13	A	932	869	2.52
14	A	656	611	4.83
15	A	535	499	68.33
16	A	498	464	2.93
17	A	218	203	2.74
18	A	124	115	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	-0.765	0.128	-0.000
C2	0.476	0.575	-0.000
C3	1.681	-0.335	0.000
O4	-1.864	-0.268	0.000
H5	0.594	1.647	0.000
H6	1.380	-1.380	-0.000
H7	2.296	-0.164	-0.881
H8	2.296	-0.165	0.882

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.3193	2.4895	1.1683	2.0390	2.6216	3.1990	3.1987
C2	1.3193		1.5101	2.4876	1.0785	2.1536	2.1532	2.1533
C3	2.4895	1.5101		3.5459	2.2602	1.0872	1.0883	1.0883
O4	1.1683	2.4876	3.5459		3.1168	3.4293	4.2541	4.2537
H5	2.0390	1.0785	2.2602	3.1168		3.1268	2.6369	2.6370
H6	2.6216	2.1536	1.0872	3.4293	3.1268		1.7586	1.7586
H7	3.1990	2.1532	1.0883	4.2541	2.6369	1.7586		1.7631
H8	3.1987	2.1533	1.0883	4.2537	2.6370	1.7586	1.7631

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.114	C1	C2	H5	116.143
C2	C1	O4	179.975	C2	C3	H6	110.979
C2	C3	H7	110.887	C2	C3	H8	110.891
C3	C2	H5	120.744	H6	C3	H7	107.876
H6	C3	H8	107.877	H7	C3	H8	108.202

All results from a given calculation for C₃H₄O (Methylketene)

using model chemistry: MP3=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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All results from a given calculation for C3H4O (Methylketene)

using model chemistry: MP3=FULL/6-31+G**

States and conformations

All results from a given calculation for C₃H₄O (Methylketene)