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	hartrees
Energy at 0K	-116.503508
Energy at 298.15K	-116.506701
HF Energy	-116.368792
Nuclear repulsion energy	63.748413

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	3316	3316	0.08	146.20	0.15	0.26
2	A₁	3071	3071	73.49	136.72	0.16	0.28
3	A₁	1715	1715	15.53	34.33	0.19	0.32
4	A₁	1546	1546	2.05	15.18	0.23	0.37
5	A₁	1167	1167	0.46	10.37	0.18	0.31
6	A₁	930	930	4.98	6.27	0.57	0.72
7	A₂	1028	1028	0.00	9.95	0.75	0.86
8	A₂	841	841	0.00	0.13	0.75	0.86
9	B₁	3140	3140	57.65	98.59	0.75	0.86
10	B₁	1126	1126	1.27	2.35	0.75	0.86
11	B₁	583	583	84.34	0.83	0.75	0.86
12	B₂	3270	3270	0.38	81.69	0.75	0.86
13	B₂	1075	1075	34.66	0.46	0.75	0.86
14	B₂	1038	1038	33.53	0.04	0.75	0.86
15	B₂	790	790	14.63	15.82	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.864
C2	0.000	0.648	-0.501
C3	0.000	-0.648	-0.501
H4	0.000	1.578	-1.044
H5	0.000	-1.578	-1.044
H6	0.912	0.000	1.459
H7	-0.912	0.000	1.459

	C1	C2	C3	H4	H5	H6	H7
C1		1.5110	1.5110	2.4756	2.4756	1.0896	1.0896
C2	1.5110		1.2957	1.0767	2.2910	2.2575	2.2575
C3	1.5110	1.2957		2.2910	1.0767	2.2575	2.2575
H4	2.4756	1.0767	2.2910		3.1560	3.0965	3.0965
H5	2.4756	2.2910	1.0767	3.1560		3.0965	3.0965
H6	1.0896	2.2575	2.2575	3.0965	3.0965		1.8246
H7	1.0896	2.2575	2.2575	3.0965	3.0965	1.8246

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.610	C1	C2	H4	145.640
C1	C3	C2	64.610	C1	C3	H5	145.640
C2	C1	C3	50.779	C2	C1	H6	119.598
C2	C1	H7	119.598	C2	C3	H5	149.750
C3	C1	H6	119.598	C3	C1	H7	119.598
C3	C2	H4	149.750	H6	C1	H7	113.715

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: B2PLYP/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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Number	Element	Mulliken
1	C	-0.405
2	C	-0.202
3	C	-0.202
4	H	0.204
5	H	0.204
6	H	0.200
7	H	0.200

	x	y	z	Total
	0.000	0.000	-0.486	0.486
CHELPG
AIM
ESP

<r²>	37.070
(<r²>)^1/2	6.089

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: B2PLYP/6-311G*

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)