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	hartrees
Energy at 0K	-116.606431
Energy at 298.15K	-116.609655
HF Energy	-116.606431
Nuclear repulsion energy	63.917106

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	3306	3184	0.02	138.39	0.14	0.25
2	A₁	3041	2929	73.97	143.41	0.16	0.27
3	A₁	1740	1676	13.08	41.78	0.17	0.29
4	A₁	1516	1460	2.14	13.83	0.26	0.41
5	A₁	1172	1129	0.65	10.58	0.19	0.32
6	A₁	923	889	5.62	5.32	0.61	0.75
7	A₂	1018	980	0.00	9.18	0.75	0.86
8	A₂	872	840	0.00	0.14	0.75	0.86
9	B₁	3107	2992	54.10	101.46	0.75	0.86
10	B₁	1109	1068	1.62	2.05	0.75	0.86
11	B₁	611	588	83.62	0.75	0.75	0.86
12	B₂	3258	3138	0.07	75.13	0.75	0.86
13	B₂	1071	1031	33.73	0.21	0.75	0.86
14	B₂	1032	994	30.31	0.00	0.75	0.86
15	B₂	805	776	18.17	16.57	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.860
C2	0.000	0.645	-0.499
C3	0.000	-0.645	-0.499
H4	0.000	1.578	-1.039
H5	0.000	-1.578	-1.039
H6	0.914	0.000	1.457
H7	-0.914	0.000	1.457

	C1	C2	C3	H4	H5	H6	H7
C1		1.5046	1.5046	2.4688	2.4688	1.0919	1.0919
C2	1.5046		1.2908	1.0772	2.2875	2.2540	2.2540
C3	1.5046	1.2908		2.2875	1.0772	2.2540	2.2540
H4	2.4688	1.0772	2.2875		3.1550	3.0914	3.0914
H5	2.4688	2.2875	1.0772	3.1550		3.0914	3.0914
H6	1.0919	2.2540	2.2540	3.0914	3.0914		1.8276
H7	1.0919	2.2540	2.2540	3.0914	3.0914	1.8276

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.599	C1	C2	H4	145.479
C1	C3	C2	64.599	C1	C3	H5	145.479
C2	C1	C3	50.801	C2	C1	H6	119.633
C2	C1	H7	119.633	C2	C3	H5	149.922
C3	C1	H6	119.633	C3	C1	H7	119.633
C3	C2	H4	149.922	H6	C1	H7	113.627

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: B3PW91/6-311G**

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	-0.223
2	C	-0.120
3	C	-0.120
4	H	0.109
5	H	0.109
6	H	0.123
7	H	0.123

	x	y	z	Total
	0.000	0.000	-0.497	0.497
CHELPG
AIM
ESP

<r²>	36.790
(<r²>)^1/2	6.065

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: B3PW91/6-311G**

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)