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	hartrees
Energy at 0K	-115.908373
Energy at 298.15K	-115.911658
HF Energy	-115.908373
Nuclear repulsion energy	63.464444

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	3402	3222	1.30	100.99	0.12	0.21
2	A₁	3152	2985	30.39	97.29	0.15	0.26
3	A₁	1744	1652	8.34	29.34	0.22	0.36
4	A₁	1568	1485	1.13	13.03	0.39	0.56
5	A₁	1147	1086	1.03	8.36	0.20	0.33
6	A₁	944	895	4.44	9.38	0.60	0.75
7	A₂	1049	994	0.00	19.11	0.75	0.86
8	A₂	933	884	0.00	0.00	0.75	0.86
9	B₁	3230	3060	31.09	66.04	0.75	0.86
10	B₁	1130	1070	2.71	3.89	0.75	0.86
11	B₁	684	648	104.37	1.32	0.75	0.86
12	B₂	3351	3174	2.24	53.14	0.75	0.86
13	B₂	1121	1062	22.27	0.18	0.75	0.86
14	B₂	1079	1022	52.59	0.16	0.75	0.86
15	B₂	788	747	10.93	17.74	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.877
C2	0.000	0.649	-0.507
C3	0.000	-0.649	-0.507
H4	0.000	1.574	-1.046
H5	0.000	-1.574	-1.046
H6	0.916	0.000	1.459
H7	-0.916	0.000	1.459

	C1	C2	C3	H4	H5	H6	H7
C1		1.5286	1.5286	2.4850	2.4850	1.0859	1.0859
C2	1.5286		1.2977	1.0706	2.2871	2.2646	2.2646
C3	1.5286	1.2977		2.2871	1.0706	2.2646	2.2646
H4	2.4850	1.0706	2.2871		3.1475	3.0976	3.0976
H5	2.4850	2.2871	1.0706	3.1475		3.0976	3.0976
H6	1.0859	2.2646	2.2646	3.0976	3.0976		1.8328
H7	1.0859	2.2646	2.2646	3.0976	3.0976	1.8328

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.882	C1	C2	H4	145.358
C1	C3	C2	64.882	C1	C3	H5	145.358
C2	C1	C3	50.236	C2	C1	H6	119.062
C2	C1	H7	119.062	C2	C3	H5	149.760
C3	C1	H6	119.062	C3	C1	H7	119.062
C3	C2	H4	149.760	H6	C1	H7	115.110

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: M06-2X/3-21G*

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	-0.375
2	C	-0.218
3	C	-0.218
4	H	0.205
5	H	0.205
6	H	0.201
7	H	0.201

	x	y	z	Total
	0.000	0.000	-0.466	0.466
CHELPG
AIM
ESP

<r²>	37.209
(<r²>)^1/2	6.100

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: M06-2X/3-21G*

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)