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	hartrees
Energy at 0K	-116.666805
Energy at 298.15K	-116.670008
HF Energy	-116.666805
Nuclear repulsion energy	63.996113

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	3290	3290	0.05	146.99	0.13	0.23
2	A₁	3038	3038	72.78	157.57	0.12	0.21
3	A₁	1731	1731	17.45	62.85	0.06	0.12
4	A₁	1524	1524	1.82	12.68	0.17	0.30
5	A₁	1147	1147	0.22	15.92	0.11	0.20
6	A₁	924	924	3.92	4.88	0.60	0.75
7	A₂	1017	1017	0.00	2.19	0.75	0.86
8	A₂	872	872	0.00	1.16	0.75	0.86
9	B₁	3098	3098	42.72	112.56	0.75	0.86
10	B₁	1112	1112	1.65	0.11	0.75	0.86
11	B₁	603	603	83.22	0.04	0.75	0.86
12	B₂	3244	3244	0.15	81.99	0.75	0.86
13	B₂	1072	1072	18.36	0.25	0.75	0.86
14	B₂	1038	1038	41.02	0.01	0.75	0.86
15	B₂	782	782	14.72	13.05	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.862
C2	0.000	0.643	-0.500
C3	0.000	-0.643	-0.500
H4	0.000	1.571	-1.041
H5	0.000	-1.571	-1.041
H6	0.911	0.000	1.456
H7	-0.911	0.000	1.456

	C1	C2	C3	H4	H5	H6	H7
C1		1.5060	1.5060	2.4677	2.4677	1.0879	1.0879
C2	1.5060		1.2866	1.0743	2.2799	2.2520	2.2520
C3	1.5060	1.2866		2.2799	1.0743	2.2520	2.2520
H4	2.4677	1.0743	2.2799		3.1429	3.0881	3.0881
H5	2.4677	2.2799	1.0743	3.1429		3.0881	3.0881
H6	1.0879	2.2520	2.2520	3.0881	3.0881		1.8217
H7	1.0879	2.2520	2.2520	3.0881	3.0881	1.8217

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.713	C1	C2	H4	145.520
C1	C3	C2	64.713	C1	C3	H5	145.520
C2	C1	C3	50.573	C2	C1	H6	119.629
C2	C1	H7	119.629	C2	C3	H5	149.767
C3	C1	H6	119.629	C3	C1	H7	119.629
C3	C2	H4	149.767	H6	C1	H7	113.708

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: B3LYP/daug-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	-0.878
2	C	-0.486
3	C	-0.486
4	H	0.728
5	H	0.728
6	H	0.197
7	H	0.197

	x	y	z	Total
	0.000	0.000	-0.475	0.475
CHELPG
AIM
ESP

<r²>	36.976
(<r²>)^1/2	6.081

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: B3LYP/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)