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	hartrees
Energy at 0K	-115.836571
Energy at 298.15K	-115.839934
HF Energy	-115.836571
Nuclear repulsion energy	64.124341

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	3469	3159	0.64	114.82	0.14	0.25
2	A₁	3186	2902	87.89	139.39	0.13	0.24
3	A₁	1852	1686	26.28	87.47	0.07	0.13
4	A₁	1626	1480	1.78	11.14	0.13	0.23
5	A₁	1239	1128	0.02	18.53	0.14	0.24
6	A₁	999	910	3.14	5.41	0.54	0.70
7	A₂	1086	989	0.00	3.44	0.75	0.86
8	A₂	946	861	0.00	2.47	0.75	0.86
9	B₁	3251	2960	54.54	107.22	0.75	0.86
10	B₁	1181	1076	2.57	0.11	0.75	0.86
11	B₁	665	605	103.50	0.02	0.75	0.86
12	B₂	3419	3113	1.24	67.49	0.75	0.86
13	B₂	1169	1065	33.10	0.56	0.75	0.86
14	B₂	1142	1040	28.86	0.06	0.75	0.86
15	B₂	862	785	22.29	14.94	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.859
C2	0.000	0.641	-0.499
C3	0.000	-0.641	-0.499
H4	0.000	1.569	-1.039
H5	0.000	-1.569	-1.039
H6	0.910	0.000	1.456
H7	-0.910	0.000	1.456

	C1	C2	C3	H4	H5	H6	H7
C1		1.5023	1.5023	2.4627	2.4627	1.0880	1.0880
C2	1.5023		1.2829	1.0733	2.2757	2.2499	2.2499
C3	1.5023	1.2829		2.2757	1.0733	2.2499	2.2499
H4	2.4627	1.0733	2.2757		3.1387	3.0845	3.0845
H5	2.4627	2.2757	1.0733	3.1387		3.0845	3.0845
H6	1.0880	2.2499	2.2499	3.0845	3.0845		1.8192
H7	1.0880	2.2499	2.2499	3.0845	3.0845	1.8192

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.723	C1	C2	H4	145.447
C1	C3	C2	64.723	C1	C3	H5	145.447
C2	C1	C3	50.553	C2	C1	H6	119.744
C2	C1	H7	119.744	C2	C3	H5	149.829
C3	C1	H6	119.744	C3	C1	H7	119.744
C3	C2	H4	149.829	H6	C1	H7	113.451

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: HF/aug-cc-pVDZ

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	0.571
2	C	0.234
3	C	0.234
4	H	-0.282
5	H	-0.282
6	H	-0.238
7	H	-0.238

	x	y	z	Total
	0.000	0.000	-0.498	0.498
CHELPG
AIM
ESP

<r²>	36.884
(<r²>)^1/2	6.073

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: HF/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)