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	hartrees
Energy at 0K	-191.860384
Energy at 298.15K	-191.864480
HF Energy	-191.860384
Nuclear repulsion energy	108.774664

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3144	3013	1.19
2	A₁	1966	1884	356.45
3	A₁	1423	1364	3.94
4	A₁	1079	1034	0.54
5	A₁	1007	965	23.04
6	A₁	743	712	4.75
7	A₂	3233	3099	0.00
8	A₂	1156	1108	0.00
9	A₂	617	592	0.00
10	B₁	3246	3110	1.50
11	B₁	1095	1050	0.06
12	B₁	696	667	1.13
13	B₁	308	295	4.60
14	B₂	3143	3012	2.23
15	B₂	1402	1343	7.78
16	B₂	1064	1020	29.77
17	B₂	953	914	81.13
18	B₂	507	486	1.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.383
O2	0.000	0.000	1.580
C3	0.000	0.783	-0.859
C4	0.000	-0.783	-0.859
H5	0.918	1.289	-1.159
H6	-0.918	1.289	-1.159
H7	-0.918	-1.289	-1.159
H8	0.918	-1.289	-1.159

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.1979	1.4678	1.4678	2.2091	2.2091	2.2091	2.2091
O2	1.1979		2.5619	2.5619	3.1635	3.1635	3.1635	3.1635
C3	1.4678	2.5619		1.5669	1.0903	1.0903	2.2866	2.2866
C4	1.4678	2.5619	1.5669		2.2866	2.2866	1.0903	1.0903
H5	2.2091	3.1635	1.0903	2.2866		1.8363	3.1653	2.5782
H6	2.2091	3.1635	1.0903	2.2866	1.8363		2.5782	3.1653
H7	2.2091	3.1635	2.2866	1.0903	3.1653	2.5782		1.8363
H8	2.2091	3.1635	2.2866	1.0903	2.5782	3.1653	1.8363

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.741	C1	C3	H5	118.701
C1	C3	H6	118.701	C1	C4	C3	57.741
C1	C4	H7	118.701	C1	C4	H8	118.701
O2	C1	C3	147.741	O2	C1	C4	147.741
C3	C1	C4	64.517	C3	C4	H7	117.632
C3	C4	H8	117.632	C4	C3	H5	117.632
C4	C3	H6	117.632	H5	C3	H6	114.731
H7	C4	H8	114.731

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: mPW1PW91/aug-cc-pVDZ

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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Number	Element	Mulliken
1	C	0.410
2	O	-0.468
3	C	0.713
4	C	0.713
5	H	-0.342
6	H	-0.342
7	H	-0.342
8	H	-0.342

<r²>	67.627
(<r²>)^1/2	8.224

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)