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	hartrees
Energy at 0K	-116.627686
Energy at 298.15K	-116.630925
HF Energy	-116.627686
Nuclear repulsion energy	64.114467

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	3320	3320	0.34	135.81	0.13	0.23
2	A₁	3064	3064	67.10	144.80	0.13	0.23
3	A₁	1753	1753	16.53	54.22	0.10	0.19
4	A₁	1529	1529	1.20	11.75	0.22	0.36
5	A₁	1159	1159	0.14	15.38	0.12	0.21
6	A₁	925	925	4.87	4.77	0.58	0.74
7	A₂	1025	1025	0.00	4.67	0.75	0.86
8	A₂	890	890	0.00	0.32	0.75	0.86
9	B₁	3132	3132	39.61	97.91	0.75	0.86
10	B₁	1118	1118	1.90	0.48	0.75	0.86
11	B₁	611	611	84.63	0.29	0.75	0.86
12	B₂	3274	3274	0.77	71.29	0.75	0.86
13	B₂	1084	1084	24.47	0.02	0.75	0.86
14	B₂	1054	1054	34.21	0.03	0.75	0.86
15	B₂	811	811	18.99	14.45	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.860
C2	0.000	0.641	-0.499
C3	0.000	-0.641	-0.499
H4	0.000	1.569	-1.040
H5	0.000	-1.569	-1.040
H6	0.911	0.000	1.453
H7	-0.911	0.000	1.453

	C1	C2	C3	H4	H5	H6	H7
C1		1.5031	1.5031	2.4640	2.4640	1.0873	1.0873
C2	1.5031		1.2830	1.0734	2.2755	2.2481	2.2481
C3	1.5031	1.2830		2.2755	1.0734	2.2481	2.2481
H4	2.4640	1.0734	2.2755		3.1376	3.0834	3.0834
H5	2.4640	2.2755	1.0734	3.1376		3.0834	3.0834
H6	1.0873	2.2481	2.2481	3.0834	3.0834		1.8226
H7	1.0873	2.2481	2.2481	3.0834	3.0834	1.8226

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.738	C1	C2	H4	145.509
C1	C3	C2	64.738	C1	C3	H5	145.509
C2	C1	C3	50.525	C2	C1	H6	119.558
C2	C1	H7	119.558	C2	C3	H5	149.754
C3	C1	H6	119.558	C3	C1	H7	119.558
C3	C2	H4	149.754	H6	C1	H7	113.886

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: wB97X-D/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	0.006
2	C	-0.102
3	C	-0.102
4	H	0.100
5	H	0.100
6	H	-0.002
7	H	-0.002

	x	y	z	Total
	0.000	0.000	-0.501	0.501
CHELPG
AIM
ESP

<r²>	36.676
(<r²>)^1/2	6.056

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: wB97X-D/cc-pVQZ

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)