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	hartrees
Energy at 0K	-116.488927
Energy at 298.15K	-116.492165
HF Energy	-116.488927
Nuclear repulsion energy	63.931365

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	3340	3187	0.01	134.19	0.13	0.22
2	A₁	3068	2928	68.97	130.25	0.15	0.26
3	A₁	1771	1690	10.49	35.79	0.19	0.32
4	A₁	1541	1470	4.43	15.92	0.33	0.49
5	A₁	1203	1148	1.09	8.92	0.19	0.33
6	A₁	940	897	4.14	8.69	0.67	0.81
7	A₂	1029	982	0.00	16.27	0.75	0.86
8	A₂	868	828	0.00	0.01	0.75	0.86
9	B₁	3134	2991	56.34	89.86	0.75	0.86
10	B₁	1124	1073	1.60	3.35	0.75	0.86
11	B₁	613	585	69.34	1.59	0.75	0.86
12	B₂	3293	3142	0.01	70.20	0.75	0.86
13	B₂	1092	1042	37.12	0.41	0.75	0.86
14	B₂	1049	1001	22.61	0.02	0.75	0.86
15	B₂	828	790	15.12	18.82	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.856
C2	0.000	0.647	-0.498
C3	0.000	-0.647	-0.498
H4	0.000	1.581	-1.037
H5	0.000	-1.581	-1.037
H6	0.913	0.000	1.459
H7	-0.913	0.000	1.459

	C1	C2	C3	H4	H5	H6	H7
C1		1.5007	1.5007	2.4661	2.4661	1.0938	1.0938
C2	1.5007		1.2935	1.0784	2.2921	2.2542	2.2542
C3	1.5007	1.2935		2.2921	1.0784	2.2542	2.2542
H4	2.4661	1.0784	2.2921		3.1624	3.0919	3.0919
H5	2.4661	2.2921	1.0784	3.1624		3.0919	3.0919
H6	1.0938	2.2542	2.2542	3.0919	3.0919		1.8253
H7	1.0938	2.2542	2.2542	3.0919	3.0919	1.8253

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.470	C1	C2	H4	145.477
C1	C3	C2	64.470	C1	C3	H5	145.477
C2	C1	C3	51.060	C2	C1	H6	119.825
C2	C1	H7	119.825	C2	C3	H5	150.053
C3	C1	H6	119.825	C3	C1	H7	119.825
C3	C2	H4	150.053	H6	C1	H7	113.105

All results from a given calculation for C₃H₄ (cyclopropene)

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

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	-0.286
2	C	-0.107
3	C	-0.107
4	H	0.132
5	H	0.132
6	H	0.118
7	H	0.118

	x	y	z	Total
	0.000	0.000	-0.518	0.518
CHELPG
AIM
ESP

<r²>	36.607
(<r²>)^1/2	6.050

All results from a given calculation for C3H4 (cyclopropene)

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

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)