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	hartrees
Energy at 0K	-115.436885
Energy at 298.15K	-115.440098
HF Energy	-115.159795
Nuclear repulsion energy	62.881744

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	3368	3215	0.16	117.98	0.12	0.22
2	A₁	3164	3021	28.12	93.33	0.15	0.26
3	A₁	1661	1586	13.13	10.14	0.46	0.63
4	A₁	1582	1511	0.00	15.67	0.23	0.38
5	A₁	1133	1081	1.12	5.10	0.15	0.26
6	A₁	937	894	2.11	12.45	0.47	0.64
7	A₂	1058	1010	0.00	19.24	0.75	0.86
8	A₂	863	824	0.00	0.01	0.75	0.86
9	B₁	3251	3104	34.14	64.29	0.75	0.86
10	B₁	1139	1088	2.07	4.10	0.75	0.86
11	B₁	622	594	96.54	1.45	0.75	0.86
12	B₂	3319	3169	0.00	61.09	0.75	0.86
13	B₂	1141	1089	0.23	0.00	0.75	0.86
14	B₂	1109	1059	69.20	1.09	0.75	0.86
15	B₂	704	672	6.60	16.50	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.891
C2	0.000	0.656	-0.513
C3	0.000	-0.656	-0.513
H4	0.000	1.576	-1.064
H5	0.000	-1.576	-1.064
H6	0.918	0.000	1.469
H7	-0.918	0.000	1.469

	C1	C2	C3	H4	H5	H6	H7
C1		1.5492	1.5492	2.5107	2.5107	1.0847	1.0847
C2	1.5492		1.3124	1.0722	2.2992	2.2800	2.2800
C3	1.5492	1.3124		2.2992	1.0722	2.2800	2.2800
H4	2.5107	1.0722	2.2992		3.1519	3.1207	3.1207
H5	2.5107	2.2992	1.0722	3.1519		3.1207	3.1207
H6	1.0847	2.2800	2.2800	3.1207	3.1207		1.8358
H7	1.0847	2.2800	2.2800	3.1207	3.1207	1.8358

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.939	C1	C2	H4	145.990
C1	C3	C2	64.939	C1	C3	H5	145.990
C2	C1	C3	50.123	C2	C1	H6	118.858
C2	C1	H7	118.858	C2	C3	H5	149.071
C3	C1	H6	118.858	C3	C1	H7	118.858
C3	C2	H4	149.071	H6	C1	H7	115.611

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: MP2=FULL/3-21G

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: MP2=FULL/3-21G

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)