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	hartrees
Energy at 0K	-116.489792
Energy at 298.15K	-116.492990
HF Energy	-116.353346
Nuclear repulsion energy	63.411923

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	3324	3187	0.02	159.42	0.13	0.23
2	A₁	3072	2944	62.18	145.76	0.14	0.25
3	A₁	1718	1647	13.49	35.35	0.20	0.33
4	A₁	1508	1445	2.77	15.61	0.30	0.46
5	A₁	1171	1122	0.70	11.30	0.19	0.32
6	A₁	921	883	3.80	8.11	0.65	0.79
7	A₂	1012	970	0.00	11.38	0.75	0.86
8	A₂	849	814	0.00	0.03	0.75	0.86
9	B₁	3147	3016	48.80	100.94	0.75	0.86
10	B₁	1101	1055	1.40	3.04	0.75	0.86
11	B₁	596	572	63.82	1.22	0.75	0.86
12	B₂	3279	3143	0.19	81.79	0.75	0.86
13	B₂	1064	1019	30.97	0.04	0.75	0.86
14	B₂	1029	986	26.10	0.02	0.75	0.86
15	B₂	789	756	13.04	18.41	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.865
C2	0.000	0.653	-0.502
C3	0.000	-0.653	-0.502
H4	0.000	1.591	-1.048
H5	0.000	-1.591	-1.048
H6	0.920	0.000	1.466
H7	-0.920	0.000	1.466

	C1	C2	C3	H4	H5	H6	H7
C1		1.5150	1.5150	2.4876	2.4876	1.0989	1.0989
C2	1.5150		1.3051	1.0851	2.3086	2.2683	2.2683
C3	1.5150	1.3051		2.3086	1.0851	2.2683	2.2683
H4	2.4876	1.0851	2.3086		3.1813	3.1134	3.1134
H5	2.4876	2.3086	1.0851	3.1813		3.1134	3.1134
H6	1.0989	2.2683	2.2683	3.1134	3.1134		1.8407
H7	1.0989	2.2683	2.2683	3.1134	3.1134	1.8407

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.486	C1	C2	H4	145.688
C1	C3	C2	64.486	C1	C3	H5	145.688
C2	C1	C3	51.029	C2	C1	H6	119.551
C2	C1	H7	119.551	C2	C3	H5	149.827
C3	C1	H6	119.551	C3	C1	H7	119.551
C3	C2	H4	149.827	H6	C1	H7	113.747

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: B2PLYP=FULL/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)