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	hartrees
Energy at 0K	-115.936614
Energy at 298.15K	-115.939875
HF Energy	-115.936614
Nuclear repulsion energy	63.488701

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	3381	3210	0.56	107.32	0.12	0.21
2	A₁	3122	2964	38.21	104.17	0.15	0.26
3	A₁	1726	1639	8.19	28.94	0.23	0.37
4	A₁	1564	1485	1.05	14.56	0.36	0.53
5	A₁	1139	1082	1.59	7.41	0.19	0.32
6	A₁	939	891	4.87	9.13	0.60	0.75
7	A₂	1048	995	0.00	19.12	0.75	0.86
8	A₂	916	870	0.00	0.12	0.75	0.86
9	B₁	3202	3040	38.67	74.04	0.75	0.86
10	B₁	1124	1068	2.50	3.83	0.75	0.86
11	B₁	672	639	109.31	1.12	0.75	0.86
12	B₂	3328	3161	0.83	57.68	0.75	0.86
13	B₂	1112	1056	24.96	0.25	0.75	0.86
14	B₂	1069	1016	56.05	0.37	0.75	0.86
15	B₂	763	725	11.62	17.59	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.875
C2	0.000	0.649	-0.506
C3	0.000	-0.649	-0.506
H4	0.000	1.573	-1.047
H5	0.000	-1.573	-1.047
H6	0.917	0.000	1.459
H7	-0.917	0.000	1.459

	C1	C2	C3	H4	H5	H6	H7
C1		1.5264	1.5264	2.4839	2.4839	1.0872	1.0872
C2	1.5264		1.2986	1.0705	2.2872	2.2635	2.2635
C3	1.5264	1.2986		2.2872	1.0705	2.2635	2.2635
H4	2.4839	1.0705	2.2872		3.1461	3.0975	3.0975
H5	2.4839	2.2872	1.0705	3.1461		3.0975	3.0975
H6	1.0872	2.2635	2.2635	3.0975	3.0975		1.8348
H7	1.0872	2.2635	2.2635	3.0975	3.0975	1.8348

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.826	C1	C2	H4	145.529
C1	C3	C2	64.826	C1	C3	H5	145.529
C2	C1	C3	50.349	C2	C1	H6	119.054
C2	C1	H7	119.054	C2	C3	H5	149.645
C3	C1	H6	119.054	C3	C1	H7	119.054
C3	C2	H4	149.645	H6	C1	H7	115.095

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: mPW1PW91/3-21G*

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	-0.410
2	C	-0.224
3	C	-0.224
4	H	0.215
5	H	0.215
6	H	0.215
7	H	0.215

	x	y	z	Total
	0.000	0.000	-0.479	0.479
CHELPG
AIM
ESP

<r²>	37.087
(<r²>)^1/2	6.090

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: mPW1PW91/3-21G*

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)