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	hartrees
Energy at 0K	-116.246378
Energy at 298.15K	-116.249594
HF Energy	-115.821754
Nuclear repulsion energy	63.714976

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3346	3178	0.00
2	A₁	3099	2943	55.60
3	A₁	1751	1664	12.94
4	A₁	1573	1494	3.09
5	A₁	1208	1148	0.50
6	A₁	956	908	3.53
7	A₂	1042	989	0.00
8	A₂	831	790	0.00
9	B₁	3163	3005	52.05
10	B₁	1141	1084	1.92
11	B₁	586	557	74.01
12	B₂	3301	3136	0.16
13	B₂	1114	1058	31.36
14	B₂	1074	1020	26.43
15	B₂	822	780	12.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.860
C2	0.000	0.649	-0.500
C3	0.000	-0.649	-0.500
H4	0.000	1.585	-1.040
H5	0.000	-1.585	-1.040
H6	0.914	0.000	1.461
H7	-0.914	0.000	1.461

	C1	C2	C3	H4	H5	H6	H7
C1		1.5076	1.5076	2.4746	2.4746	1.0936	1.0936
C2	1.5076		1.2989	1.0799	2.2985	2.2592	2.2592
C3	1.5076	1.2989		2.2985	1.0799	2.2592	2.2592
H4	2.4746	1.0799	2.2985		3.1694	3.0990	3.0990
H5	2.4746	2.2985	1.0799	3.1694		3.0990	3.0990
H6	1.0936	2.2592	2.2592	3.0990	3.0990		1.8275
H7	1.0936	2.2592	2.2592	3.0990	3.0990	1.8275

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.483	C1	C2	H4	145.522
C1	C3	C2	64.483	C1	C3	H5	145.522
C2	C1	C3	51.034	C2	C1	H6	119.726
C2	C1	H7	119.726	C2	C3	H5	149.996
C3	C1	H6	119.726	C3	C1	H7	119.726
C3	C2	H4	149.996	H6	C1	H7	113.341

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: CCSD=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 C3H4 (cyclopropene)

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

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)