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	hartrees
Energy at 0K	-116.619041
Energy at 298.15K	-116.622247
HF Energy	-116.619041
Nuclear repulsion energy	63.730727

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3314	3183	0.19	138.29	0.13	0.23
2	A₁	3051	2930	73.04	126.70	0.15	0.26
3	A₁	1754	1684	12.29	33.13	0.20	0.33
4	A₁	1553	1491	5.16	16.97	0.31	0.48
5	A₁	1177	1130	1.06	8.38	0.18	0.31
6	A₁	936	899	2.73	10.01	0.65	0.79
7	A₂	1024	983	0.00	17.13	0.75	0.86
8	A₂	861	827	0.00	0.01	0.75	0.86
9	B₁	3109	2986	63.65	90.36	0.75	0.86
10	B₁	1127	1082	1.66	3.57	0.75	0.86
11	B₁	603	579	62.75	1.72	0.75	0.86
12	B₂	3269	3139	0.80	75.03	0.75	0.86
13	B₂	1085	1042	34.61	0.68	0.75	0.86
14	B₂	1044	1002	26.64	0.23	0.75	0.86
15	B₂	798	767	10.65	18.52	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.861
C2	0.000	0.647	-0.501
C3	0.000	-0.647	-0.501
H4	0.000	1.582	-1.043
H5	0.000	-1.582	-1.043
H6	0.913	0.000	1.466
H7	-0.913	0.000	1.466

	C1	C2	C3	H4	H5	H6	H7
C1		1.5088	1.5088	2.4753	2.4753	1.0948	1.0948
C2	1.5088		1.2949	1.0798	2.2940	2.2632	2.2632
C3	1.5088	1.2949		2.2940	1.0798	2.2632	2.2632
H4	2.4753	1.0798	2.2940		3.1635	3.1028	3.1028
H5	2.4753	2.2940	1.0798	3.1635		3.1028	3.1028
H6	1.0948	2.2632	2.2632	3.1028	3.1028		1.8257
H7	1.0948	2.2632	2.2632	3.1028	3.1028	1.8257

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.589	C1	C2	H4	145.495
C1	C3	C2	64.589	C1	C3	H5	145.495
C2	C1	C3	50.823	C2	C1	H6	119.909
C2	C1	H7	119.909	C2	C3	H5	149.917
C3	C1	H6	119.909	C3	C1	H7	119.909
C3	C2	H4	149.917	H6	C1	H7	112.987

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	C	-0.323
2	C	-0.113
3	C	-0.113
4	H	0.142
5	H	0.142
6	H	0.132
7	H	0.132

	x	y	z	Total
	0.000	0.000	-0.522	0.522
CHELPG
AIM
ESP

<r²>	36.840
(<r²>)^1/2	6.070

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: B3LYP/6-31G*

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)