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	hartrees
Energy at 0K	-116.568050
Energy at 298.15K	-116.571305
HF Energy	-116.568050
Nuclear repulsion energy	63.966815

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	3355	3189	0.27	137.84	0.13	0.23
2	A₁	3090	2937	60.50	130.64	0.15	0.26
3	A₁	1789	1701	10.48	36.24	0.18	0.30
4	A₁	1545	1468	4.92	16.07	0.36	0.52
5	A₁	1206	1146	0.86	9.44	0.20	0.33
6	A₁	939	893	4.02	9.46	0.68	0.81
7	A₂	1029	978	0.00	16.78	0.75	0.86
8	A₂	888	844	0.00	0.24	0.75	0.86
9	B₁	3158	3001	53.44	89.39	0.75	0.86
10	B₁	1127	1071	2.10	3.38	0.75	0.86
11	B₁	625	594	69.57	1.88	0.75	0.86
12	B₂	3308	3144	0.55	72.51	0.75	0.86
13	B₂	1090	1036	37.11	0.33	0.75	0.86
14	B₂	1049	997	21.00	0.00	0.75	0.86
15	B₂	846	804	15.08	19.37	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.857
C2	0.000	0.646	-0.499
C3	0.000	-0.646	-0.499
H4	0.000	1.581	-1.034
H5	0.000	-1.581	-1.034
H6	0.912	0.000	1.456
H7	-0.912	0.000	1.456

	C1	C2	C3	H4	H5	H6	H7
C1		1.5015	1.5015	2.4647	2.4647	1.0914	1.0914
C2	1.5015		1.2918	1.0774	2.2903	2.2516	2.2516
C3	1.5015	1.2918		2.2903	1.0774	2.2516	2.2516
H4	2.4647	1.0774	2.2903		3.1619	3.0872	3.0872
H5	2.4647	2.2903	1.0774	3.1619		3.0872	3.0872
H6	1.0914	2.2516	2.2516	3.0872	3.0872		1.8248
H7	1.0914	2.2516	2.2516	3.0872	3.0872	1.8248

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.523	C1	C2	H4	145.267
C1	C3	C2	64.523	C1	C3	H5	145.267
C2	C1	C3	50.954	C2	C1	H6	119.697
C2	C1	H7	119.697	C2	C3	H5	150.210
C3	C1	H6	119.697	C3	C1	H7	119.697
C3	C2	H4	150.210	H6	C1	H7	113.434

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: M06-2X/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	-0.272
2	C	-0.109
3	C	-0.109
4	H	0.134
5	H	0.134
6	H	0.112
7	H	0.112

	x	y	z	Total
	0.000	0.000	-0.527	0.527
CHELPG
AIM
ESP

<r²>	36.631
(<r²>)^1/2	6.052

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: M06-2X/6-31G**

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)