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	hartrees
Energy at 0K	-116.601317
Energy at 298.15K	-116.604577
HF Energy	-116.601317
Nuclear repulsion energy	64.046494

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	3347	3196	0.03	128.40	0.13	0.23
2	A₁	3067	2928	66.53	121.79	0.15	0.26
3	A₁	1762	1682	11.66	36.00	0.16	0.28
4	A₁	1530	1461	3.40	14.47	0.32	0.48
5	A₁	1192	1138	1.02	9.93	0.15	0.27
6	A₁	947	904	3.83	8.01	0.65	0.79
7	A₂	1027	981	0.00	12.37	0.75	0.86
8	A₂	890	850	0.00	0.01	0.75	0.86
9	B₁	3134	2992	47.46	83.33	0.75	0.86
10	B₁	1120	1069	2.13	2.17	0.75	0.86
11	B₁	638	610	62.98	1.05	0.75	0.86
12	B₂	3298	3148	0.12	68.02	0.75	0.86
13	B₂	1086	1037	35.37	0.11	0.75	0.86
14	B₂	1049	1002	22.07	0.04	0.75	0.86
15	B₂	825	788	14.26	17.30	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.856
C2	0.000	0.645	-0.498
C3	0.000	-0.645	-0.498
H4	0.000	1.576	-1.035
H5	0.000	-1.576	-1.035
H6	0.912	0.000	1.456
H7	-0.912	0.000	1.456

	C1	C2	C3	H4	H5	H6	H7
C1		1.4999	1.4999	2.4617	2.4617	1.0915	1.0915
C2	1.4999		1.2893	1.0752	2.2849	2.2510	2.2510
C3	1.4999	1.2893		2.2849	1.0752	2.2510	2.2510
H4	2.4617	1.0752	2.2849		3.1528	3.0857	3.0857
H5	2.4617	2.2849	1.0752	3.1528		3.0857	3.0857
H6	1.0915	2.2510	2.2510	3.0857	3.0857		1.8232
H7	1.0915	2.2510	2.2510	3.0857	3.0857	1.8232

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.546	C1	C2	H4	145.385
C1	C3	C2	64.546	C1	C3	H5	145.385
C2	C1	C3	50.908	C2	C1	H6	119.775
C2	C1	H7	119.775	C2	C3	H5	150.068
C3	C1	H6	119.775	C3	C1	H7	119.775
C3	C2	H4	150.068	H6	C1	H7	113.270

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: mPW1PW91/6-31G(2df,p)

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	-0.347
2	C	-0.117
3	C	-0.117
4	H	0.167
5	H	0.167
6	H	0.123
7	H	0.123

	x	y	z	Total
	0.000	0.000	-0.540	0.540
CHELPG
AIM
ESP

<r²>	36.471
(<r²>)^1/2	6.039

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: mPW1PW91/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)