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	hartrees
Energy at 0K	-116.605925
Energy at 298.15K	-116.609058
HF Energy	-116.605925
Nuclear repulsion energy	63.516798

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	3208	3198	0.24	167.75	0.16	0.27
2	A₁	2964	2955	77.30	157.80	0.14	0.25
3	A₁	1678	1673	15.51	41.27	0.16	0.27
4	A₁	1486	1481	2.97	15.96	0.22	0.36
5	A₁	1106	1103	0.76	12.70	0.14	0.24
6	A₁	895	892	3.47	6.24	0.60	0.75
7	A₂	988	985	0.00	7.04	0.75	0.86
8	A₂	827	825	0.00	0.04	0.75	0.86
9	B₁	3021	3012	50.82	105.84	0.75	0.86
10	B₁	1085	1081	1.60	1.57	0.75	0.86
11	B₁	573	571	70.11	0.94	0.75	0.86
12	B₂	3164	3154	0.67	92.10	0.75	0.86
13	B₂	1033	1030	21.21	0.11	0.75	0.86
14	B₂	997	994	40.63	0.22	0.75	0.86
15	B₂	741	739	10.71	15.56	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.869
C2	0.000	0.648	-0.504
C3	0.000	-0.648	-0.504
H4	0.000	1.581	-1.049
H5	0.000	-1.581	-1.049
H6	0.917	0.000	1.467
H7	-0.917	0.000	1.467

	C1	C2	C3	H4	H5	H6	H7
C1		1.5187	1.5187	2.4862	2.4862	1.0944	1.0944
C2	1.5187		1.2964	1.0807	2.2952	2.2685	2.2685
C3	1.5187	1.2964		2.2952	1.0807	2.2685	2.2685
H4	2.4862	1.0807	2.2952		3.1626	3.1101	3.1101
H5	2.4862	2.2952	1.0807	3.1626		3.1101	3.1101
H6	1.0944	2.2685	2.2685	3.1101	3.1101		1.8335
H7	1.0944	2.2685	2.2685	3.1101	3.1101	1.8335

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.736	C1	C2	H4	145.558
C1	C3	C2	64.736	C1	C3	H5	145.558
C2	C1	C3	50.529	C2	C1	H6	119.601
C2	C1	H7	119.601	C2	C3	H5	149.707
C3	C1	H6	119.601	C3	C1	H7	119.601
C3	C2	H4	149.707	H6	C1	H7	113.785

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	-0.180
2	C	-0.097
3	C	-0.097
4	H	0.107
5	H	0.107
6	H	0.080
7	H	0.080

	x	y	z	Total
	0.000	0.000	-0.481	0.481
CHELPG
AIM
ESP

<r²>	37.394
(<r²>)^1/2	6.115

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: BLYP/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)