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	hartrees
Energy at 0K	-116.582862
Energy at 298.15K	-116.586081
HF Energy	-116.582862
Nuclear repulsion energy	63.579334

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	3333	3175	0.22	140.39	0.13	0.23
2	A₁	3059	2914	62.46	145.75	0.15	0.26
3	A₁	1759	1675	13.08	43.41	0.19	0.32
4	A₁	1500	1429	1.98	13.73	0.33	0.49
5	A₁	1167	1111	0.48	12.00	0.21	0.34
6	A₁	913	870	4.66	7.36	0.65	0.79
7	A₂	1010	962	0.00	11.57	0.75	0.86
8	A₂	876	835	0.00	0.11	0.75	0.86
9	B₁	3136	2988	45.59	101.04	0.75	0.86
10	B₁	1098	1046	1.66	2.83	0.75	0.86
11	B₁	610	581	71.29	0.96	0.75	0.86
12	B₂	3284	3129	0.75	72.78	0.75	0.86
13	B₂	1067	1016	36.78	0.02	0.75	0.86
14	B₂	1034	985	20.13	0.05	0.75	0.86
15	B₂	806	768	18.49	19.24	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.864
C2	0.000	0.648	-0.502
C3	0.000	-0.648	-0.502
H4	0.000	1.585	-1.048
H5	0.000	-1.585	-1.048
H6	0.921	0.000	1.466
H7	-0.921	0.000	1.466

	C1	C2	C3	H4	H5	H6	H7
C1		1.5119	1.5119	2.4836	2.4836	1.0997	1.0997
C2	1.5119		1.2966	1.0845	2.2994	2.2667	2.2667
C3	1.5119	1.2966		2.2994	1.0845	2.2667	2.2667
H4	2.4836	1.0845	2.2994		3.1708	3.1108	3.1108
H5	2.4836	2.2994	1.0845	3.1708		3.1108	3.1108
H6	1.0997	2.2667	2.2667	3.1108	3.1108		1.8414
H7	1.0997	2.2667	2.2667	3.1108	3.1108	1.8414

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.609	C1	C2	H4	145.612
C1	C3	C2	64.609	C1	C3	H5	145.612
C2	C1	C3	50.782	C2	C1	H6	119.607
C2	C1	H7	119.607	C2	C3	H5	149.779
C3	C1	H6	119.607	C3	C1	H7	119.607
C3	C2	H4	149.779	H6	C1	H7	113.695

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: wB97X-D/cc-pVDZ

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	-0.034
2	C	-0.046
3	C	-0.046
4	H	0.022
5	H	0.022
6	H	0.040
7	H	0.040

	x	y	z	Total
	0.000	0.000	-0.523	0.523
CHELPG
AIM
ESP

<r²>	37.021
(<r²>)^1/2	6.084

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)