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	hartrees
Energy at 0K	-115.873997
Energy at 298.15K	-115.877388
HF Energy	-115.873997
Nuclear repulsion energy	64.586807

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	3459	3142	0.69	111.06	0.14	0.25
2	A₁	3177	2886	86.59	141.05	0.13	0.23
3	A₁	1850	1681	27.10	83.80	0.06	0.12
4	A₁	1642	1492	1.45	12.49	0.12	0.21
5	A₁	1236	1123	0.04	17.49	0.12	0.22
6	A₁	1008	916	3.14	5.56	0.53	0.69
7	A₂	1099	998	0.00	3.51	0.75	0.86
8	A₂	989	898	0.00	2.23	0.75	0.86
9	B₁	3233	2937	53.24	103.13	0.75	0.86
10	B₁	1198	1088	2.96	0.10	0.75	0.86
11	B₁	692	628	101.03	0.02	0.75	0.86
12	B₂	3409	3097	1.02	65.42	0.75	0.86
13	B₂	1187	1078	20.45	0.55	0.75	0.86
14	B₂	1160	1054	42.24	0.08	0.75	0.86
15	B₂	868	789	21.16	13.67	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.855
C2	0.000	0.635	-0.497
C3	0.000	-0.635	-0.497
H4	0.000	1.557	-1.030
H5	0.000	-1.557	-1.030
H6	0.902	0.000	1.448
H7	-0.902	0.000	1.448

	C1	C2	C3	H4	H5	H6	H7
C1		1.4936	1.4936	2.4451	2.4451	1.0799	1.0799
C2	1.4936		1.2709	1.0649	2.2564	2.2364	2.2364
C3	1.4936	1.2709		2.2564	1.0649	2.2364	2.2364
H4	2.4451	1.0649	2.2564		3.1141	3.0630	3.0630
H5	2.4451	2.2564	1.0649	3.1141		3.0630	3.0630
H6	1.0799	2.2364	2.2364	3.0630	3.0630		1.8045
H7	1.0799	2.2364	2.2364	3.0630	3.0630	1.8045

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.822	C1	C2	H4	145.243
C1	C3	C2	64.822	C1	C3	H5	145.243
C2	C1	C3	50.355	C2	C1	H6	119.819
C2	C1	H7	119.819	C2	C3	H5	149.934
C3	C1	H6	119.819	C3	C1	H7	119.819
C3	C2	H4	149.934	H6	C1	H7	113.339

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: HF/aug-cc-pVQZ

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	-0.539
2	C	-0.553
3	C	-0.553
4	H	0.485
5	H	0.485
6	H	0.337
7	H	0.337

	x	y	z	Total
	0.000	0.000	-0.506	0.506
CHELPG
AIM
ESP

<r²>	36.467
(<r²>)^1/2	6.039

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: HF/aug-cc-pVQZ

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)