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	hartrees
Energy at 0K	-115.062306
Energy at 298.15K	-115.065546
HF Energy	-115.062306
Nuclear repulsion energy	63.450349

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	3610	3188	11.70	57.07	0.14	0.24
2	A₁	3372	2978	2.50	38.75	0.16	0.27
3	A₁	1904	1681	1.27	17.85	0.16	0.27
4	A₁	1679	1483	3.02	14.74	0.58	0.73
5	A₁	1360	1201	1.06	6.55	0.20	0.34
6	A₁	1016	897	0.00	13.87	0.70	0.82
7	A₂	1124	993	0.00	11.20	0.75	0.86
8	A₂	940	830	0.00	0.03	0.75	0.86
9	B₁	3508	3098	7.77	33.71	0.75	0.86
10	B₁	1195	1055	6.46	1.66	0.75	0.86
11	B₁	696	615	41.09	1.12	0.75	0.86
12	B₂	3537	3124	56.93	34.98	0.75	0.86
13	B₂	1229	1085	49.55	0.01	0.75	0.86
14	B₂	1176	1038	2.45	0.00	0.75	0.86
15	B₂	931	823	3.36	14.68	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.862
C2	0.000	0.652	-0.501
C3	0.000	-0.652	-0.501
H4	0.000	1.594	-1.048
H5	0.000	-1.594	-1.048
H6	0.917	0.000	1.469
H7	-0.917	0.000	1.469

	C1	C2	C3	H4	H5	H6	H7
C1		1.5114	1.5114	2.4881	2.4881	1.0999	1.0999
C2	1.5114		1.3041	1.0891	2.3115	2.2693	2.2693
C3	1.5114	1.3041		2.3115	1.0891	2.2693	2.2693
H4	2.4881	1.0891	2.3115		3.1874	3.1177	3.1177
H5	2.4881	2.3115	1.0891	3.1874		3.1177	3.1177
H6	1.0999	2.2693	2.2693	3.1177	3.1177		1.8344
H7	1.0999	2.2693	2.2693	3.1177	3.1177	1.8344

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.442	C1	C2	H4	145.719
C1	C3	C2	64.442	C1	C3	H5	145.719
C2	C1	C3	51.117	C2	C1	H6	119.861
C2	C1	H7	119.861	C2	C3	H5	149.840
C3	C1	H6	119.861	C3	C1	H7	119.861
C3	C2	H4	149.840	H6	C1	H7	113.004

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: HSEh1PBE/STO-3G

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	-0.149
2	C	-0.100
3	C	-0.100
4	H	0.106
5	H	0.106
6	H	0.069
7	H	0.069

	x	y	z	Total
	0.000	0.000	-0.455	0.455
CHELPG
AIM
ESP

<r²>	36.403
(<r²>)^1/2	6.033

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: HSEh1PBE/STO-3G

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)