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	hartrees
Energy at 0K	-116.606490
Energy at 298.15K	-116.609728
HF Energy	-116.606490
Nuclear repulsion energy	63.922033

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	3323	3178	0.15	127.57	0.14	0.25
2	A₁	3058	2925	69.22	138.33	0.16	0.27
3	A₁	1753	1676	14.46	43.54	0.17	0.30
4	A₁	1525	1458	1.70	12.89	0.26	0.42
5	A₁	1162	1112	0.29	11.31	0.19	0.32
6	A₁	924	884	5.41	5.77	0.59	0.74
7	A₂	1022	978	0.00	9.58	0.75	0.86
8	A₂	889	851	0.00	0.18	0.75	0.86
9	B₁	3128	2992	51.66	97.16	0.75	0.86
10	B₁	1113	1064	2.06	2.02	0.75	0.86
11	B₁	616	589	87.98	0.69	0.75	0.86
12	B₂	3274	3132	0.42	69.91	0.75	0.86
13	B₂	1078	1031	32.22	0.12	0.75	0.86
14	B₂	1046	1000	31.87	0.01	0.75	0.86
15	B₂	809	774	19.31	17.11	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.863
C2	0.000	0.644	-0.501
C3	0.000	-0.644	-0.501
H4	0.000	1.574	-1.041
H5	0.000	-1.574	-1.041
H6	0.914	0.000	1.458
H7	-0.914	0.000	1.458

	C1	C2	C3	H4	H5	H6	H7
C1		1.5076	1.5076	2.4701	2.4701	1.0906	1.0906
C2	1.5076		1.2874	1.0757	2.2824	2.2550	2.2550
C3	1.5076	1.2874		2.2824	1.0757	2.2550	2.2550
H4	2.4701	1.0757	2.2824		3.1475	3.0915	3.0915
H5	2.4701	2.2824	1.0757	3.1475		3.0915	3.0915
H6	1.0906	2.2550	2.2550	3.0915	3.0915		1.8279
H7	1.0906	2.2550	2.2550	3.0915	3.0915	1.8279

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.725	C1	C2	H4	145.442
C1	C3	C2	64.725	C1	C3	H5	145.442
C2	C1	C3	50.549	C2	C1	H6	119.566
C2	C1	H7	119.566	C2	C3	H5	149.832
C3	C1	H6	119.566	C3	C1	H7	119.566
C3	C2	H4	149.832	H6	C1	H7	113.861

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: wB97X-D/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	-0.217
2	C	-0.124
3	C	-0.124
4	H	0.115
5	H	0.115
6	H	0.118
7	H	0.118

	x	y	z	Total
	0.000	0.000	-0.506	0.506
CHELPG
AIM
ESP

<r²>	36.796
(<r²>)^1/2	6.066

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: wB97X-D/6-311G**

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)