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	hartrees
Energy at 0K	-189.653306
Energy at 298.15K	-189.657793
HF Energy	-189.653306
Nuclear repulsion energy	109.087970

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3315	3002	0.55
2	A₁	2078	1882	240.93
3	A₁	1590	1440	7.03
4	A₁	1199	1086	45.18
5	A₁	1070	969	0.06
6	A₁	755	684	11.04
7	A₂	3392	3072	0.00
8	A₂	1276	1156	0.00
9	A₂	789	715	0.00
10	B₁	3406	3085	0.98
11	B₁	1248	1130	0.36
12	B₁	792	717	1.97
13	B₁	457	414	5.87
14	B₂	3310	2998	1.19
15	B₂	1571	1422	10.83
16	B₂	1245	1127	0.67
17	B₂	1069	968	182.85
18	B₂	554	502	4.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.383
O2	0.000	0.000	1.578
C3	0.000	0.786	-0.858
C4	0.000	-0.786	-0.858
H5	0.907	1.276	-1.156
H6	-0.907	1.276	-1.156
H7	-0.907	-1.276	-1.156
H8	0.907	-1.276	-1.156

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.1952	1.4686	1.4686	2.1949	2.1949	2.1949	2.1949
O2	1.1952		2.5595	2.5595	3.1502	3.1502	3.1502	3.1502
C3	1.4686	2.5595		1.5715	1.0733	1.0733	2.2717	2.2717
C4	1.4686	2.5595	1.5715		2.2717	2.2717	1.0733	1.0733
H5	2.1949	3.1502	1.0733	2.2717		1.8148	3.1307	2.5510
H6	2.1949	3.1502	1.0733	2.2717	1.8148		2.5510	3.1307
H7	2.1949	3.1502	2.2717	1.0733	3.1307	2.5510		1.8148
H8	2.1949	3.1502	2.2717	1.0733	2.5510	3.1307	1.8148

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.655	C1	C3	H5	118.591
C1	C3	H6	118.591	C1	C4	C3	57.655
C1	C4	H7	118.591	C1	C4	H8	118.591
O2	C1	C3	147.655	O2	C1	C4	147.655
C3	C1	C4	64.690	C3	C4	H7	117.151
C3	C4	H8	117.151	C4	C3	H5	117.151
C4	C3	H6	117.151	H5	C3	H6	115.439
H7	C4	H8	115.439

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: HF/3-21G

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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	x	y	z	Total
	0.000	0.000	-3.011	3.011
CHELPG	0.000	0.000	-3.028	3.028
AIM
ESP	0.013	0.000	-2.995	2.995

Number	Element	Mulliken
1	C	0.445
2	O	-0.534
3	C	-0.488
4	C	-0.488
5	H	0.266
6	H	0.266
7	H	0.266
8	H	0.266

<r²>	67.561
(<r²>)^1/2	8.220

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: HF/3-21G

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)