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	hartrees
Energy at 0K	-116.519481
Energy at 298.15K	-116.522675
HF Energy	-116.368815
Nuclear repulsion energy	63.766428

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	3317	3317	0.07	145.94	0.15	0.26
2	A₁	3072	3072	73.48	136.66	0.16	0.28
3	A₁	1716	1716	15.45	34.35	0.19	0.32
4	A₁	1546	1546	2.04	15.15	0.23	0.37
5	A₁	1169	1169	0.46	10.37	0.18	0.31
6	A₁	930	930	5.03	6.23	0.57	0.72
7	A₂	1028	1028	0.00	9.95	0.75	0.86
8	A₂	842	842	0.00	0.13	0.75	0.86
9	B₁	3140	3140	57.59	98.55	0.75	0.86
10	B₁	1126	1126	1.28	2.34	0.75	0.86
11	B₁	583	583	84.31	0.82	0.75	0.86
12	B₂	3271	3271	0.36	81.46	0.75	0.86
13	B₂	1075	1075	34.63	0.46	0.75	0.86
14	B₂	1038	1038	33.51	0.04	0.75	0.86
15	B₂	791	791	14.74	15.81	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.863
C2	0.000	0.648	-0.501
C3	0.000	-0.648	-0.501
H4	0.000	1.578	-1.043
H5	0.000	-1.578	-1.043
H6	0.912	0.000	1.459
H7	-0.912	0.000	1.459

	C1	C2	C3	H4	H5	H6	H7
C1		1.5104	1.5104	2.4748	2.4748	1.0894	1.0894
C2	1.5104		1.2954	1.0766	2.2906	2.2569	2.2569
C3	1.5104	1.2954		2.2906	1.0766	2.2569	2.2569
H4	2.4748	1.0766	2.2906		3.1555	3.0957	3.0957
H5	2.4748	2.2906	1.0766	3.1555		3.0957	3.0957
H6	1.0894	2.2569	2.2569	3.0957	3.0957		1.8243
H7	1.0894	2.2569	2.2569	3.0957	3.0957	1.8243

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.606	C1	C2	H4	145.639
C1	C3	C2	64.606	C1	C3	H5	145.639
C2	C1	C3	50.788	C2	C1	H6	119.602
C2	C1	H7	119.602	C2	C3	H5	149.755
C3	C1	H6	119.602	C3	C1	H7	119.602
C3	C2	H4	149.755	H6	C1	H7	113.703

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: B2PLYP=FULL/6-311G*

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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All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: B2PLYP=FULL/6-311G*

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)