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	hartrees
Energy at 0K	-191.537034
Energy at 298.15K
HF Energy	-190.797499
Nuclear repulsion energy	109.024000

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.381
O2	0.000	0.000	1.576
C3	0.000	0.787	-0.856
C4	0.000	-0.787	-0.856
H5	0.915	1.280	-1.154
H6	-0.915	1.280	-1.154
H7	-0.915	-1.280	-1.154
H8	0.915	-1.280	-1.154

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.1944	1.4667	1.4667	2.1987	2.1987	2.1987	2.1987
O2	1.1944		2.5563	2.5563	3.1511	3.1511	3.1511	3.1511
C3	1.4667	2.5563		1.5734	1.0815	1.0815	2.2801	2.2801
C4	1.4667	2.5563	1.5734		2.2801	2.2801	1.0815	1.0815
H5	2.1987	3.1511	1.0815	2.2801		1.8299	3.1476	2.5610
H6	2.1987	3.1511	1.0815	2.2801	1.8299		2.5610	3.1476
H7	2.1987	3.1511	2.2801	1.0815	3.1476	2.5610		1.8299
H8	2.1987	3.1511	2.2801	1.0815	2.5610	3.1476	1.8299

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.563	C1	C3	H5	118.501
C1	C3	H6	118.501	C1	C4	C3	57.563
C1	C4	H7	118.501	C1	C4	H8	118.501
O2	C1	C3	147.563	O2	C1	C4	147.563
C3	C1	C4	64.873	C3	C4	H7	117.169
C3	C4	H8	117.169	C4	C3	H5	117.169
C4	C3	H6	117.169	H5	C3	H6	115.565
H7	C4	H8	115.565

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: CCD/aug-cc-pVTZ

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 (Cyclopropanone)

using model chemistry: CCD/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)