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	hartrees
Energy at 0K	-191.465388
Energy at 298.15K	-191.469540
HF Energy	-190.772380
Nuclear repulsion energy	108.561666

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3172	3009	0.71
2	A₁	1935	1835	228.02
3	A₁	1455	1380	4.25
4	A₁	1071	1016	6.51
5	A₁	1035	982	27.17
6	A₁	743	705	2.70
7	A₂	3266	3098	0.00
8	A₂	1183	1123	0.00
9	A₂	641	608	0.00
10	B₁	3278	3109	1.74
11	B₁	1118	1061	0.02
12	B₁	722	685	0.82
13	B₁	319	303	3.05
14	B₂	3171	3008	1.26
15	B₂	1434	1360	6.16
16	B₂	1085	1030	18.82
17	B₂	966	916	115.07
18	B₂	519	492	1.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.385
O2	0.000	0.000	1.586
C3	0.000	0.787	-0.861
C4	0.000	-0.787	-0.861
H5	0.917	1.281	-1.166
H6	-0.917	1.281	-1.166
H7	-0.917	-1.281	-1.166
H8	0.917	-1.281	-1.166

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2012	1.4731	1.4731	2.2103	2.2103	2.2103	2.2103
O2	1.2012		2.5699	2.5699	3.1707	3.1707	3.1707	3.1707
C3	1.4731	2.5699		1.5737	1.0854	1.0854	2.2822	2.2822
C4	1.4731	2.5699	1.5737		2.2822	2.2822	1.0854	1.0854
H5	2.2103	3.1707	1.0854	2.2822		1.8344	3.1503	2.5611
H6	2.2103	3.1707	1.0854	2.2822	1.8344		2.5611	3.1503
H7	2.2103	3.1707	2.2822	1.0854	3.1503	2.5611		1.8344
H8	2.2103	3.1707	2.2822	1.0854	2.5611	3.1503	1.8344

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.713	C1	C3	H5	118.733
C1	C3	H6	118.733	C1	C4	C3	57.713
C1	C4	H7	118.733	C1	C4	H8	118.733
O2	C1	C3	147.713	O2	C1	C4	147.713
C3	C1	C4	64.574	C3	C4	H7	117.052
C3	C4	H8	117.052	C4	C3	H5	117.052
C4	C3	H6	117.052	H5	C3	H6	115.345
H7	C4	H8	115.345

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: MP2=FULL/6-311G**

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/6-311G**

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)