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	hartrees
Energy at 0K	-116.620044
Energy at 298.15K	-116.623273
HF Energy	-116.620044
Nuclear repulsion energy	64.093842

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	3320	3320	0.34	136.48	0.12	0.22
2	A₁	3066	3066	67.87	148.20	0.12	0.21
3	A₁	1752	1752	17.62	64.74	0.06	0.11
4	A₁	1529	1529	1.21	10.79	0.19	0.32
5	A₁	1156	1156	0.10	16.69	0.10	0.19
6	A₁	925	925	4.65	4.80	0.57	0.72
7	A₂	1025	1025	0.00	2.48	0.75	0.86
8	A₂	890	890	0.00	1.07	0.75	0.86
9	B₁	3133	3133	39.60	101.43	0.75	0.86
10	B₁	1115	1115	1.89	0.12	0.75	0.86
11	B₁	612	612	87.81	0.03	0.75	0.86
12	B₂	3273	3273	0.80	73.49	0.75	0.86
13	B₂	1082	1082	22.90	0.41	0.75	0.86
14	B₂	1052	1052	34.97	0.06	0.75	0.86
15	B₂	808	808	19.05	12.43	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.860
C2	0.000	0.642	-0.499
C3	0.000	-0.642	-0.499
H4	0.000	1.569	-1.040
H5	0.000	-1.569	-1.040
H6	0.912	0.000	1.453
H7	-0.912	0.000	1.453

	C1	C2	C3	H4	H5	H6	H7
C1		1.5036	1.5036	2.4646	2.4646	1.0875	1.0875
C2	1.5036		1.2837	1.0736	2.2764	2.2485	2.2485
C3	1.5036	1.2837		2.2764	1.0736	2.2485	2.2485
H4	2.4646	1.0736	2.2764		3.1388	3.0839	3.0839
H5	2.4646	2.2764	1.0736	3.1388		3.0839	3.0839
H6	1.0875	2.2485	2.2485	3.0839	3.0839		1.8233
H7	1.0875	2.2485	2.2485	3.0839	3.0839	1.8233

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.729	C1	C2	H4	145.509
C1	C3	C2	64.729	C1	C3	H5	145.509
C2	C1	C3	50.541	C2	C1	H6	119.542
C2	C1	H7	119.542	C2	C3	H5	149.762
C3	C1	H6	119.542	C3	C1	H7	119.542
C3	C2	H4	149.762	H6	C1	H7	113.918

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: wB97X-D/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	-1.186
2	C	-0.494
3	C	-0.494
4	H	0.714
5	H	0.714
6	H	0.372
7	H	0.372

	x	y	z	Total
	0.000	0.000	-0.495	0.495
CHELPG
AIM
ESP

<r²>	36.719
(<r²>)^1/2	6.060

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: wB97X-D/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)