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	hartrees
Energy at 0K	-116.661835
Energy at 298.15K	-116.665062
HF Energy	-116.661835
Nuclear repulsion energy	63.797625

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	3293	3293	0.11	151.39	0.15	0.26
2	A₁	3031	3031	83.37	149.21	0.16	0.27
3	A₁	1726	1726	15.13	41.43	0.18	0.30
4	A₁	1528	1528	3.29	15.21	0.24	0.39
5	A₁	1167	1167	0.87	10.72	0.18	0.30
6	A₁	930	930	4.22	6.08	0.59	0.74
7	A₂	1021	1021	0.00	9.34	0.75	0.86
8	A₂	867	867	0.00	0.14	0.75	0.86
9	B₁	3094	3094	63.42	107.00	0.75	0.86
10	B₁	1109	1109	2.01	2.17	0.75	0.86
11	B₁	614	614	80.62	0.87	0.75	0.86
12	B₂	3246	3246	0.26	83.70	0.75	0.86
13	B₂	1071	1071	35.83	0.30	0.75	0.86
14	B₂	1034	1034	26.31	0.00	0.75	0.86
15	B₂	805	805	16.17	16.62	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.862
C2	0.000	0.647	-0.501
C3	0.000	-0.647	-0.501
H4	0.000	1.579	-1.041
H5	0.000	-1.579	-1.041
H6	0.914	0.000	1.459
H7	-0.914	0.000	1.459

	C1	C2	C3	H4	H5	H6	H7
C1		1.5085	1.5085	2.4726	2.4726	1.0918	1.0918
C2	1.5085		1.2940	1.0772	2.2907	2.2572	2.2572
C3	1.5085	1.2940		2.2907	1.0772	2.2572	2.2572
H4	2.4726	1.0772	2.2907		3.1583	3.0948	3.0948
H5	2.4726	2.2907	1.0772	3.1583		3.0948	3.0948
H6	1.0918	2.2572	2.2572	3.0948	3.0948		1.8282
H7	1.0918	2.2572	2.2572	3.0948	3.0948	1.8282

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.602	C1	C2	H4	145.479
C1	C3	C2	64.602	C1	C3	H5	145.479
C2	C1	C3	50.797	C2	C1	H6	119.605
C2	C1	H7	119.605	C2	C3	H5	149.919
C3	C1	H6	119.605	C3	C1	H7	119.605
C3	C2	H4	149.919	H6	C1	H7	113.695

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: TPSSh/6-311G**

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	-0.199
2	C	-0.112
3	C	-0.112
4	H	0.098
5	H	0.098
6	H	0.114
7	H	0.114

	x	y	z	Total
	0.000	0.000	-0.490	0.490
CHELPG
AIM
ESP

<r²>	36.897
(<r²>)^1/2	6.074

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: TPSSh/6-311G**

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)