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	hartrees
Energy at 0K	-116.595889
Energy at 298.15K	-116.599127
HF Energy	-116.595889
Nuclear repulsion energy	63.939045

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	3184	0.01	133.35	0.13	0.22
2	A₁	3076	2926	68.77	130.26	0.15	0.26
3	A₁	1771	1685	11.06	35.85	0.19	0.32
4	A₁	1545	1470	4.30	15.84	0.32	0.49
5	A₁	1200	1142	0.95	8.92	0.20	0.33
6	A₁	941	896	4.02	8.56	0.67	0.80
7	A₂	1031	981	0.00	16.10	0.75	0.86
8	A₂	869	827	0.00	0.00	0.75	0.86
9	B₁	3142	2990	55.92	90.00	0.75	0.86
10	B₁	1126	1072	1.60	3.33	0.75	0.86
11	B₁	613	583	71.09	1.49	0.75	0.86
12	B₂	3300	3140	0.01	69.96	0.75	0.86
13	B₂	1093	1040	36.77	0.39	0.75	0.86
14	B₂	1051	1000	23.60	0.02	0.75	0.86
15	B₂	825	785	14.89	18.75	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.857
C2	0.000	0.647	-0.499
C3	0.000	-0.647	-0.499
H4	0.000	1.580	-1.037
H5	0.000	-1.580	-1.037
H6	0.912	0.000	1.458
H7	-0.912	0.000	1.458

	C1	C2	C3	H4	H5	H6	H7
C1		1.5017	1.5017	2.4660	2.4660	1.0924	1.0924
C2	1.5017		1.2930	1.0772	2.2902	2.2537	2.2537
C3	1.5017	1.2930		2.2902	1.0772	2.2537	2.2537
H4	2.4660	1.0772	2.2902		3.1590	3.0907	3.0907
H5	2.4660	2.2902	1.0772	3.1590		3.0907	3.0907
H6	1.0924	2.2537	2.2537	3.0907	3.0907		1.8238
H7	1.0924	2.2537	2.2537	3.0907	3.0907	1.8238

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.499	C1	C2	H4	145.484
C1	C3	C2	64.499	C1	C3	H5	145.484
C2	C1	C3	51.002	C2	C1	H6	119.802
C2	C1	H7	119.802	C2	C3	H5	150.017
C3	C1	H6	119.802	C3	C1	H7	119.802
C3	C2	H4	150.017	H6	C1	H7	113.177

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: mPW1PW91/6-31G**

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	-0.290
2	C	-0.111
3	C	-0.111
4	H	0.135
5	H	0.135
6	H	0.121
7	H	0.121

	x	y	z	Total
	0.000	0.000	-0.515	0.515
CHELPG
AIM
ESP

<r²>	36.572
(<r²>)^1/2	6.047

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: mPW1PW91/6-31G**

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)