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	hartrees
Energy at 0K	-116.665636
Energy at 298.15K	-116.668853
HF Energy	-116.665636
Nuclear repulsion energy	64.001057

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	3294	3184	0.02	148.01	0.16	0.27
2	A₁	3038	2937	74.45	150.74	0.14	0.25
3	A₁	1734	1677	15.97	44.74	0.15	0.26
4	A₁	1525	1474	2.35	14.50	0.22	0.36
5	A₁	1151	1112	0.42	13.10	0.14	0.25
6	A₁	924	893	4.07	5.46	0.61	0.76
7	A₂	1018	984	0.00	6.67	0.75	0.86
8	A₂	871	842	0.00	0.14	0.75	0.86
9	B₁	3099	2995	47.40	100.83	0.75	0.86
10	B₁	1115	1077	1.82	1.29	0.75	0.86
11	B₁	603	583	76.47	0.66	0.75	0.86
12	B₂	3247	3139	0.01	79.71	0.75	0.86
13	B₂	1075	1039	21.51	0.03	0.75	0.86
14	B₂	1039	1004	40.28	0.04	0.75	0.86
15	B₂	784	758	14.28	15.70	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.861
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	1.457
H7	-0.911	0.000	1.457

	C1	C2	C3	H4	H5	H6	H7
C1		1.5058	1.5058	2.4674	2.4674	1.0881	1.0881
C2	1.5058		1.2865	1.0742	2.2797	2.2522	2.2522
C3	1.5058	1.2865		2.2797	1.0742	2.2522	2.2522
H4	2.4674	1.0742	2.2797		3.1426	3.0883	3.0883
H5	2.4674	2.2797	1.0742	3.1426		3.0883	3.0883
H6	1.0881	2.2522	2.2522	3.0883	3.0883		1.8215
H7	1.0881	2.2522	2.2522	3.0883	3.0883	1.8215

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.710	C1	C2	H4	145.530
C1	C3	C2	64.710	C1	C3	H5	145.530
C2	C1	C3	50.580	C2	C1	H6	119.654
C2	C1	H7	119.654	C2	C3	H5	149.760
C3	C1	H6	119.654	C3	C1	H7	119.654
C3	C2	H4	149.760	H6	C1	H7	113.649

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: B3LYPultrafine/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	-0.197
2	C	-0.116
3	C	-0.116
4	H	0.125
5	H	0.125
6	H	0.090
7	H	0.090

	x	y	z	Total
	0.000	0.000	-0.491	0.491
CHELPG
AIM
ESP

<r²>	36.901
(<r²>)^1/2	6.075

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: B3LYPultrafine/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)