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	hartrees
Energy at 0K	-191.332315
Energy at 298.15K	-191.336495
HF Energy	-190.731100
Nuclear repulsion energy	108.533791

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3222	3010	0.82
2	A₁	1942	1814	201.42
3	A₁	1496	1398	2.47
4	A₁	1086	1014	7.90
5	A₁	1070	1000	21.39
6	A₁	752	702	2.32
7	A₂	3316	3098	0.00
8	A₂	1206	1127	0.00
9	A₂	664	620	0.00
10	B₁	3327	3108	1.51
11	B₁	1138	1063	0.13
12	B₁	731	683	0.90
13	B₁	320	299	4.28
14	B₂	3220	3009	1.00
15	B₂	1477	1380	3.52
16	B₂	1118	1045	19.55
17	B₂	998	933	110.98
18	B₂	519	485	1.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.380
O2	0.000	0.000	1.592
C3	0.000	0.783	-0.862
C4	0.000	-0.783	-0.862
H5	0.911	1.280	-1.166
H6	-0.911	1.280	-1.166
H7	-0.911	-1.280	-1.166
H8	0.911	-1.280	-1.166

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2119	1.4687	1.4687	2.2044	2.2044	2.2044	2.2044
O2	1.2119		2.5763	2.5763	3.1743	3.1743	3.1743	3.1743
C3	1.4687	2.5763		1.5665	1.0813	1.0813	2.2755	2.2755
C4	1.4687	2.5763	1.5665		2.2755	2.2755	1.0813	1.0813
H5	2.2044	3.1743	1.0813	2.2755		1.8226	3.1419	2.5592
H6	2.2044	3.1743	1.0813	2.2755	1.8226		2.5592	3.1419
H7	2.2044	3.1743	2.2755	1.0813	3.1419	2.5592		1.8226
H8	2.2044	3.1743	2.2755	1.0813	2.5592	3.1419	1.8226

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.774	C1	C3	H5	118.854
C1	C3	H6	118.854	C1	C4	C3	57.774
C1	C4	H7	118.854	C1	C4	H8	118.854
O2	C1	C3	147.774	O2	C1	C4	147.774
C3	C1	C4	64.453	C3	C4	H7	117.324
C3	C4	H8	117.324	C4	C3	H5	117.324
C4	C3	H6	117.324	H5	C3	H6	114.871
H7	C4	H8	114.871

All results from a given calculation for C₃H₄O (Cyclopropanone)

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

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: MP2=FULL/6-31G**

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)