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	hartrees
Energy at 0K	-116.550378
Energy at 298.15K	-116.553598
HF Energy	-116.390175
Nuclear repulsion energy	63.958618

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	3321	3186	0.07	148.37	0.15	0.27
2	A₁	3074	2949	66.28	145.17	0.14	0.24
3	A₁	1713	1643	16.97	40.37	0.15	0.26
4	A₁	1534	1472	1.82	14.28	0.20	0.34
5	A₁	1159	1112	0.20	13.50	0.14	0.24
6	A₁	931	894	4.22	5.47	0.60	0.75
7	A₂	1025	984	0.00	6.30	0.75	0.86
8	A₂	863	828	0.00	0.18	0.75	0.86
9	B₁	3141	3014	41.66	93.85	0.75	0.86
10	B₁	1120	1075	1.71	1.29	0.75	0.86
11	B₁	599	574	77.21	0.64	0.75	0.86
12	B₂	3275	3142	0.17	77.64	0.75	0.86
13	B₂	1079	1035	20.21	0.02	0.75	0.86
14	B₂	1045	1003	40.41	0.02	0.75	0.86
15	B₂	790	758	13.88	15.17	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.862
C2	0.000	0.646	-0.500
C3	0.000	-0.646	-0.500
H4	0.000	1.573	-1.039
H5	0.000	-1.573	-1.039
H6	0.911	0.000	1.453
H7	-0.911	0.000	1.453

	C1	C2	C3	H4	H5	H6	H7
C1		1.5066	1.5066	2.4669	2.4669	1.0858	1.0858
C2	1.5066		1.2911	1.0727	2.2832	2.2493	2.2493
C3	1.5066	1.2911		2.2832	1.0727	2.2493	2.2493
H4	2.4669	1.0727	2.2832		3.1463	3.0842	3.0842
H5	2.4669	2.2832	1.0727	3.1463		3.0842	3.0842
H6	1.0858	2.2493	2.2493	3.0842	3.0842		1.8210
H7	1.0858	2.2493	2.2493	3.0842	3.0842	1.8210

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.630	C1	C2	H4	145.522
C1	C3	C2	64.630	C1	C3	H5	145.522
C2	C1	C3	50.741	C2	C1	H6	119.489
C2	C1	H7	119.489	C2	C3	H5	149.849
C3	C1	H6	119.489	C3	C1	H7	119.489
C3	C2	H4	149.849	H6	C1	H7	113.979

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: B2PLYP/cc-pVTZ

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	-0.221
2	C	-0.142
3	C	-0.142
4	H	0.149
5	H	0.149
6	H	0.103
7	H	0.103

	x	y	z	Total
	0.000	0.000	-0.472	0.472
CHELPG
AIM
ESP

<r²>	36.929
(<r²>)^1/2	6.077

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)