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	hartrees
Energy at 0K	-116.569807
Energy at 298.15K
HF Energy	-116.391264
Nuclear repulsion energy	64.010190

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	3313	3313	0.14	150.19	0.12	0.21
2	A₁	3076	3076	64.81	151.06	0.12	0.21
3	A₁	1714	1714	18.38	57.42	0.06	0.12
4	A₁	1534	1534	1.33	12.36	0.16	0.27
5	A₁	1157	1157	0.07	16.99	0.10	0.19
6	A₁	932	932	4.17	4.76	0.58	0.74
7	A₂	1026	1026	0.00	2.01	0.75	0.86
8	A₂	869	869	0.00	1.08	0.75	0.86
9	B₁	3137	3137	37.07	102.29	0.75	0.86
10	B₁	1117	1117	1.56	0.11	0.75	0.86
11	B₁	603	603	82.82	0.04	0.75	0.86
12	B₂	3267	3267	0.47	79.58	0.75	0.86
13	B₂	1075	1075	15.36	0.27	0.75	0.86
14	B₂	1041	1041	42.62	0.02	0.75	0.86
15	B₂	789	789	14.58	12.49	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.861
C2	0.000	0.645	-0.499
C3	0.000	-0.645	-0.499
H4	0.000	1.572	-1.038
H5	0.000	-1.572	-1.038
H6	0.910	0.000	1.451
H7	-0.910	0.000	1.451

	C1	C2	C3	H4	H5	H6	H7
C1		1.5055	1.5055	2.4650	2.4650	1.0848	1.0848
C2	1.5055		1.2900	1.0721	2.2816	2.2470	2.2470
C3	1.5055	1.2900		2.2816	1.0721	2.2470	2.2470
H4	2.4650	1.0721	2.2816		3.1445	3.0813	3.0813
H5	2.4650	2.2816	1.0721	3.1445		3.0813	3.0813
H6	1.0848	2.2470	2.2470	3.0813	3.0813		1.8204
H7	1.0848	2.2470	2.2470	3.0813	3.0813	1.8204

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.632	C1	C2	H4	145.502
C1	C3	C2	64.632	C1	C3	H5	145.502
C2	C1	C3	50.737	C2	C1	H6	119.448
C2	C1	H7	119.448	C2	C3	H5	149.867
C3	C1	H6	119.448	C3	C1	H7	119.448
C3	C2	H4	149.867	H6	C1	H7	114.074

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: B2PLYP=FULLultrafine/daug-cc-pVTZ

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=FULLultrafine/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)