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	hartrees
Energy at 0K	-116.493441
Energy at 298.15K	-116.496663
HF Energy	-116.493441
Nuclear repulsion energy	63.863478

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	3339	3188	0.09	140.21	0.15	0.26
2	A₁	3070	2931	69.65	126.06	0.18	0.30
3	A₁	1757	1678	15.90	59.90	0.10	0.18
4	A₁	1531	1462	3.13	13.03	0.31	0.48
5	A₁	1187	1133	0.32	17.41	0.17	0.29
6	A₁	931	889	6.62	4.62	0.57	0.73
7	A₂	1023	977	0.00	5.65	0.75	0.86
8	A₂	859	820	0.00	0.49	0.75	0.86
9	B₁	3137	2995	45.75	111.30	0.75	0.86
10	B₁	1118	1068	1.12	0.54	0.75	0.86
11	B₁	604	576	99.07	0.11	0.75	0.86
12	B₂	3292	3143	0.38	79.78	0.75	0.86
13	B₂	1086	1037	37.37	0.05	0.75	0.86
14	B₂	1038	991	27.27	0.23	0.75	0.86
15	B₂	819	782	21.94	16.63	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.858
C2	0.000	0.648	-0.499
C3	0.000	-0.648	-0.499
H4	0.000	1.582	-1.038
H5	0.000	-1.582	-1.038
H6	0.914	0.000	1.458
H7	-0.914	0.000	1.458

	C1	C2	C3	H4	H5	H6	H7
C1		1.5033	1.5033	2.4690	2.4690	1.0933	1.0933
C2	1.5033		1.2951	1.0786	2.2936	2.2548	2.2548
C3	1.5033	1.2951		2.2936	1.0786	2.2548	2.2548
H4	2.4690	1.0786	2.2936		3.1638	3.0930	3.0930
H5	2.4690	2.2936	1.0786	3.1638		3.0930	3.0930
H6	1.0933	2.2548	2.2548	3.0930	3.0930		1.8277
H7	1.0933	2.2548	2.2548	3.0930	3.0930	1.8277

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.486	C1	C2	H4	145.491
C1	C3	C2	64.486	C1	C3	H5	145.491
C2	C1	C3	51.029	C2	C1	H6	119.698
C2	C1	H7	119.698	C2	C3	H5	150.023
C3	C1	H6	119.698	C3	C1	H7	119.698
C3	C2	H4	150.023	H6	C1	H7	113.408

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: HSEh1PBE/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	-0.324
2	C	-0.147
3	C	-0.147
4	H	0.161
5	H	0.161
6	H	0.148
7	H	0.148

	x	y	z	Total
	0.000	0.000	-0.459	0.459
CHELPG
AIM
ESP

<r²>	36.971
(<r²>)^1/2	6.080

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)