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	hartrees
Energy at 0K	-116.288188
Energy at 298.15K	-116.291348
HF Energy	-115.830115
Nuclear repulsion energy	62.965327

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3308	3172
2	A₁	3075	2949
3	A₁	1678	1609
4	A₁	1506	1445
5	A₁	1169	1121
6	A₁	917	880
7	A₂	1008	967
8	A₂	801	768
9	B₁	3151	3022
10	B₁	1090	1046
11	B₁	567	544
12	B₂	3264	3131
13	B₂	1065	1021
14	B₂	1027	985
15	B₂	784	752

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.871
C2	0.000	0.659	-0.505
C3	0.000	-0.659	-0.505
H4	0.000	1.601	-1.054
H5	0.000	-1.601	-1.054
H6	0.924	0.000	1.472
H7	-0.924	0.000	1.472

	C1	C2	C3	H4	H5	H6	H7
C1		1.5256	1.5256	2.5037	2.5037	1.1028	1.1028
C2	1.5256		1.3189	1.0901	2.3264	2.2799	2.2799
C3	1.5256	1.3189		2.3264	1.0901	2.2799	2.2799
H4	2.5037	1.0901	2.3264		3.2025	3.1304	3.1304
H5	2.5037	2.3264	1.0901	3.2025		3.1304	3.1304
H6	1.1028	2.2799	2.2799	3.1304	3.1304		1.8487
H7	1.1028	2.2799	2.2799	3.1304	3.1304	1.8487

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.388	C1	C2	H4	145.854
C1	C3	C2	64.388	C1	C3	H5	145.854
C2	C1	C3	51.225	C2	C1	H6	119.456
C2	C1	H7	119.456	C2	C3	H5	149.758
C3	C1	H6	119.456	C3	C1	H7	119.456
C3	C2	H4	149.758	H6	C1	H7	113.904

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: QCISD(T)=FULL/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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All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: QCISD(T)=FULL/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)