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	hartrees
Energy at 0K	-116.300283
Energy at 298.15K	-116.303532
HF Energy	-115.838028
Nuclear repulsion energy	63.835570

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	3382	3194	0.38	128.65	0.13	0.24
2	A₁	3133	2959	43.57	107.58	0.13	0.24
3	A₁	1702	1608	12.75	20.40	0.17	0.28
4	A₁	1541	1456	2.23	14.42	0.29	0.45
5	A₁	1188	1122	0.57	9.46	0.13	0.24
6	A₁	955	902	4.13	7.99	0.62	0.76
7	A₂	1038	980	0.00	11.73	0.75	0.86
8	A₂	867	819	0.00	0.01	0.75	0.86
9	B₁	3214	3036	31.28	69.49	0.75	0.86
10	B₁	1126	1064	1.75	2.34	0.75	0.86
11	B₁	625	590	62.13	1.14	0.75	0.86
12	B₂	3335	3150	1.56	62.89	0.75	0.86
13	B₂	1086	1026	25.50	0.13	0.75	0.86
14	B₂	1046	988	29.67	0.12	0.75	0.86
15	B₂	824	778	10.37	15.68	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.859
C2	0.000	0.650	-0.499
C3	0.000	-0.650	-0.499
H4	0.000	1.582	-1.033
H5	0.000	-1.582	-1.033
H6	0.912	0.000	1.452
H7	-0.912	0.000	1.452

	C1	C2	C3	H4	H5	H6	H7
C1		1.5061	1.5061	2.4661	2.4661	1.0879	1.0879
C2	1.5061		1.2999	1.0736	2.2945	2.2499	2.2499
C3	1.5061	1.2999		2.2945	1.0736	2.2499	2.2499
H4	2.4661	1.0736	2.2945		3.1635	3.0834	3.0834
H5	2.4661	2.2945	1.0736	3.1635		3.0834	3.0834
H6	1.0879	2.2499	2.2499	3.0834	3.0834		1.8247
H7	1.0879	2.2499	2.2499	3.0834	3.0834	1.8247

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.436	C1	C2	H4	145.348
C1	C3	C2	64.436	C1	C3	H5	145.348
C2	C1	C3	51.127	C2	C1	H6	119.429
C2	C1	H7	119.429	C2	C3	H5	150.215
C3	C1	H6	119.429	C3	C1	H7	119.429
C3	C2	H4	150.215	H6	C1	H7	113.996

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)