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	hartrees
Energy at 0K	-115.839297
Energy at 298.15K	-115.842704
HF Energy	-115.839297
Nuclear repulsion energy	64.505686

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	3478	3149	0.24	109.46	0.13	0.23
2	A₁	3182	2881	82.15	119.99	0.16	0.27
3	A₁	1871	1694	19.75	48.19	0.18	0.30
4	A₁	1647	1491	4.32	13.94	0.26	0.41
5	A₁	1252	1133	0.07	11.88	0.16	0.28
6	A₁	1021	925	2.23	8.90	0.61	0.75
7	A₂	1101	997	0.00	12.74	0.75	0.86
8	A₂	998	904	0.00	0.06	0.75	0.86
9	B₁	3241	2934	65.75	85.81	0.75	0.86
10	B₁	1201	1088	3.99	1.76	0.75	0.86
11	B₁	715	647	73.79	0.68	0.75	0.86
12	B₂	3425	3101	0.37	61.51	0.75	0.86
13	B₂	1191	1078	31.89	0.00	0.75	0.86
14	B₂	1166	1056	30.87	0.06	0.75	0.86
15	B₂	881	798	15.76	18.61	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.854
C2	0.000	0.637	-0.498
C3	0.000	-0.637	-0.498
H4	0.000	1.561	-1.029
H5	0.000	-1.561	-1.029
H6	0.903	0.000	1.452
H7	-0.903	0.000	1.452

	C1	C2	C3	H4	H5	H6	H7
C1		1.4941	1.4941	2.4460	2.4460	1.0831	1.0831
C2	1.4941		1.2731	1.0665	2.2612	2.2409	2.2409
C3	1.4941	1.2731		2.2612	1.0665	2.2409	2.2409
H4	2.4460	1.0665	2.2612		3.1228	3.0671	3.0671
H5	2.4460	2.2612	1.0665	3.1228		3.0671	3.0671
H6	1.0831	2.2409	2.2409	3.0671	3.0671		1.8064
H7	1.0831	2.2409	2.2409	3.0671	3.0671	1.8064

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.783	C1	C2	H4	145.081
C1	C3	C2	64.783	C1	C3	H5	145.081
C2	C1	C3	50.434	C2	C1	H6	119.956
C2	C1	H7	119.956	C2	C3	H5	150.136
C3	C1	H6	119.956	C3	C1	H7	119.956
C3	C2	H4	150.136	H6	C1	H7	113.000

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: HF/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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Number	Element	Mulliken
1	C	-0.317
2	C	-0.145
3	C	-0.145
4	H	0.185
5	H	0.185
6	H	0.119
7	H	0.119

	x	y	z	Total
	0.000	0.000	-0.578	0.578
CHELPG
AIM
ESP

<r²>	36.301
(<r²>)^1/2	6.025

All results from a given calculation for C3H4 (cyclopropene)

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

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)