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	hartrees
Energy at 0K	-191.742125
Energy at 298.15K	-191.737190
HF Energy	-190.726169
Nuclear repulsion energy	109.759855

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3305	3114	0.24
2	A₁	2154	2029	389.67
3	A₁	1593	1501	0.85
4	A₁	1166	1098	18.23
5	A₁	1142	1076	0.02
6	A₁	791	745	10.47
7	A₂	3380	3185	0.00
8	A₂	1280	1206	0.00
9	A₂	727	685	0.00
10	B₁	3393	3197	7.54
11	B₁	1228	1157	0.48
12	B₁	772	727	0.41
13	B₁	382	360	9.91
14	B₂	3301	3110	6.06
15	B₂	1567	1477	3.70
16	B₂	1216	1146	17.92
17	B₂	1079	1016	136.59
18	B₂	552	520	5.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.380
O2	0.000	0.000	1.593
C3	0.000	0.784	-0.862
C4	0.000	-0.784	-0.862
H5	0.914	1.285	-1.169
H6	-0.914	1.285	-1.169
H7	-0.914	-1.285	-1.169
H8	0.914	-1.285	-1.169

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2125	1.4690	1.4690	2.2103	2.2103	2.2103	2.2103
O2	1.2125		2.5771	2.5771	3.1799	3.1799	3.1799	3.1799
C3	1.4690	2.5771		1.5671	1.0868	1.0868	2.2820	2.2820
C4	1.4690	2.5771	1.5671		2.2820	2.2820	1.0868	1.0868
H5	2.2103	3.1799	1.0868	2.2820		1.8288	3.1537	2.5692
H6	2.2103	3.1799	1.0868	2.2820	1.8288		2.5692	3.1537
H7	2.2103	3.1799	2.2820	1.0868	3.1537	2.5692		1.8288
H8	2.2103	3.1799	2.2820	1.0868	2.5692	3.1537	1.8288

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.824	C1	C3	H5	118.711
C1	C3	H6	118.711	C1	C4	C3	57.824
C1	C4	H7	118.711	C1	C4	H8	118.711
O2	C1	C3	147.824	O2	C1	C4	147.824
C3	C1	C4	64.353	C3	C4	H7	117.640
C3	C4	H8	117.640	C4	C3	H5	117.640
C4	C3	H6	117.640	H5	C3	H6	114.680
H7	C4	H8	114.680

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: G3

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: G3

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)