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	hartrees
Energy at 0K	-116.495586
Energy at 298.15K	-116.498784
HF Energy	-116.495586
Nuclear repulsion energy	63.696747

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	3324	3199	0.11	148.68	0.13	0.22
2	A₁	3060	2944	73.46	155.80	0.12	0.22
3	A₁	1748	1682	15.28	66.53	0.07	0.12
4	A₁	1508	1451	1.73	10.81	0.20	0.33
5	A₁	1182	1137	0.37	16.36	0.12	0.21
6	A₁	922	887	5.02	4.25	0.63	0.78
7	A₂	1011	973	0.00	2.57	0.75	0.86
8	A₂	829	798	0.00	0.94	0.75	0.86
9	B₁	3132	3014	43.77	113.94	0.75	0.86
10	B₁	1102	1060	1.36	0.10	0.75	0.86
11	B₁	580	558	85.54	0.06	0.75	0.86
12	B₂	3276	3152	0.45	79.73	0.75	0.86
13	B₂	1066	1025	31.31	0.27	0.75	0.86
14	B₂	1030	991	23.34	0.09	0.75	0.86
15	B₂	811	780	19.74	13.75	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.860
C2	0.000	0.649	-0.499
C3	0.000	-0.649	-0.499
H4	0.000	1.586	-1.044
H5	0.000	-1.586	-1.044
H6	0.918	0.000	1.461
H7	-0.918	0.000	1.461

	C1	C2	C3	H4	H5	H6	H7
C1		1.5064	1.5064	2.4779	2.4779	1.0972	1.0972
C2	1.5064		1.2980	1.0835	2.3001	2.2600	2.2600
C3	1.5064	1.2980		2.3001	1.0835	2.2600	2.2600
H4	2.4779	1.0835	2.3001		3.1714	3.1036	3.1036
H5	2.4779	2.3001	1.0835	3.1714		3.1036	3.1036
H6	1.0972	2.2600	2.2600	3.1036	3.1036		1.8359
H7	1.0972	2.2600	2.2600	3.1036	3.1036	1.8359

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.480	C1	C2	H4	145.695
C1	C3	C2	64.480	C1	C3	H5	145.695
C2	C1	C3	51.041	C2	C1	H6	119.627
C2	C1	H7	119.627	C2	C3	H5	149.826
C3	C1	H6	119.627	C3	C1	H7	119.627
C3	C2	H4	149.826	H6	C1	H7	113.568

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: HSEh1PBE/aug-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	0.690
2	C	0.417
3	C	0.417
4	H	-0.379
5	H	-0.379
6	H	-0.383
7	H	-0.383

	x	y	z	Total
	0.000	0.000	-0.481	0.481
CHELPG
AIM
ESP

<r²>	37.121
(<r²>)^1/2	6.093

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: HSEh1PBE/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)