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	hartrees
Energy at 0K	-19.252435
Energy at 298.15K	-19.255605
HF Energy	-19.252435
Nuclear repulsion energy	33.758560

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	3262	3162	0.69	157.79	0.15	0.26
2	A₁	3015	2923	92.63	154.52	0.17	0.30
3	A₁	1699	1647	19.92	48.19	0.16	0.28
4	A₁	1519	1472	4.29	18.09	0.20	0.33
5	A₁	1137	1102	0.32	13.80	0.16	0.27
6	A₁	914	886	3.87	7.33	0.56	0.72
7	A₂	1006	976	0.00	11.39	0.75	0.86
8	A₂	845	819	0.00	0.09	0.75	0.86
9	B₁	3083	2989	71.37	112.60	0.75	0.86
10	B₁	1095	1061	1.00	2.65	0.75	0.86
11	B₁	594	576	90.80	0.92	0.75	0.86
12	B₂	3217	3118	1.48	92.18	0.75	0.86
13	B₂	1054	1021	40.72	1.56	0.75	0.86
14	B₂	1016	985	27.41	0.02	0.75	0.86
15	B₂	773	749	14.91	18.03	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.872
C2	0.000	0.652	-0.506
C3	0.000	-0.652	-0.506
H4	0.000	1.588	-1.052
H5	0.000	-1.588	-1.052
H6	0.917	0.000	1.472
H7	-0.917	0.000	1.472

	C1	C2	C3	H4	H5	H6	H7
C1		1.5245	1.5245	2.4945	2.4945	1.0964	1.0964
C2	1.5245		1.3032	1.0838	2.3052	2.2762	2.2762
C3	1.5245	1.3032		2.3052	1.0838	2.2762	2.2762
H4	2.4945	1.0838	2.3052		3.1762	3.1200	3.1200
H5	2.4945	2.3052	1.0838	3.1762		3.1200	3.1200
H6	1.0964	2.2762	2.2762	3.1200	3.1200		1.8349
H7	1.0964	2.2762	2.2762	3.1200	3.1200	1.8349

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.695	C1	C2	H4	145.526
C1	C3	C2	64.695	C1	C3	H5	145.526
C2	C1	C3	50.610	C2	C1	H6	119.672
C2	C1	H7	119.672	C2	C3	H5	149.779
C3	C1	H6	119.672	C3	C1	H7	119.672
C3	C2	H4	149.779	H6	C1	H7	113.599

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: B3LYP/CEP-121G*

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	-0.394
2	C	-0.157
3	C	-0.157
4	H	0.207
5	H	0.207
6	H	0.147
7	H	0.147

	x	y	z	Total
	0.000	0.000	-0.458	0.458
CHELPG
AIM
ESP

<r²>	33.152
(<r²>)^1/2	5.758

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: B3LYP/CEP-121G*

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)