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	hartrees
Energy at 0K	-116.631471
Energy at 298.15K	-116.634662
HF Energy	-116.631471
Nuclear repulsion energy	63.657001

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	3309	3190	0.00	145.68	0.15	0.27
2	A₁	3048	2938	71.47	123.99	0.18	0.31
3	A₁	1736	1674	18.41	60.16	0.11	0.19
4	A₁	1529	1475	3.41	13.14	0.30	0.46
5	A₁	1155	1113	0.25	18.83	0.17	0.28
6	A₁	925	892	5.26	5.49	0.52	0.68
7	A₂	1014	977	0.00	5.06	0.75	0.86
8	A₂	851	821	0.00	0.67	0.75	0.86
9	B₁	3112	3000	48.89	112.73	0.75	0.86
10	B₁	1112	1072	1.02	0.57	0.75	0.86
11	B₁	593	572	94.51	0.08	0.75	0.86
12	B₂	3264	3147	0.05	85.79	0.75	0.86
13	B₂	1074	1036	31.64	0.05	0.75	0.86
14	B₂	1030	993	35.51	0.04	0.75	0.86
15	B₂	784	756	16.95	17.05	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.864
C2	0.000	0.648	-0.502
C3	0.000	-0.648	-0.502
H4	0.000	1.582	-1.043
H5	0.000	-1.582	-1.043
H6	0.914	0.000	1.464
H7	-0.914	0.000	1.464

	C1	C2	C3	H4	H5	H6	H7
C1		1.5124	1.5124	2.4780	2.4780	1.0933	1.0933
C2	1.5124		1.2968	1.0789	2.2948	2.2632	2.2632
C3	1.5124	1.2968		2.2948	1.0789	2.2632	2.2632
H4	2.4780	1.0789	2.2948		3.1633	3.1024	3.1024
H5	2.4780	2.2948	1.0789	3.1633		3.1024	3.1024
H6	1.0933	2.2632	2.2632	3.1024	3.1024		1.8282
H7	1.0933	2.2632	2.2632	3.1024	3.1024	1.8282

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.614	C1	C2	H4	145.499
C1	C3	C2	64.614	C1	C3	H5	145.499
C2	C1	C3	50.772	C2	C1	H6	119.713
C2	C1	H7	119.713	C2	C3	H5	149.887
C3	C1	H6	119.713	C3	C1	H7	119.713
C3	C2	H4	149.887	H6	C1	H7	113.454

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: B3LYP/6-31+G**

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	-0.294
2	C	-0.120
3	C	-0.120
4	H	0.135
5	H	0.135
6	H	0.132
7	H	0.132

	x	y	z	Total
	0.000	0.000	-0.450	0.450
CHELPG
AIM
ESP

<r²>	37.269
(<r²>)^1/2	6.105

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: B3LYP/6-31+G**

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)