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	hartrees
Energy at 0K	-116.622401
Energy at 298.15K	-116.625633
HF Energy	-116.622401
Nuclear repulsion energy	64.081359

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	3325	3176	0.46	131.46	0.13	0.22
2	A₁	3069	2931	65.61	143.73	0.14	0.25
3	A₁	1754	1676	16.74	53.79	0.11	0.19
4	A₁	1529	1461	1.29	12.28	0.24	0.39
5	A₁	1159	1107	0.12	15.06	0.13	0.23
6	A₁	922	881	4.95	4.79	0.55	0.71
7	A₂	1024	978	0.00	6.33	0.75	0.86
8	A₂	889	849	0.00	0.15	0.75	0.86
9	B₁	3138	2998	38.64	94.78	0.75	0.86
10	B₁	1117	1067	2.01	0.75	0.75	0.86
11	B₁	611	584	88.99	0.30	0.75	0.86
12	B₂	3279	3132	1.06	69.60	0.75	0.86
13	B₂	1084	1036	27.14	0.15	0.75	0.86
14	B₂	1050	1003	31.31	0.01	0.75	0.86
15	B₂	809	773	19.79	15.10	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	1.570	-1.041
H5	0.000	-1.570	-1.041
H6	0.912	0.000	1.454
H7	-0.912	0.000	1.454

	C1	C2	C3	H4	H5	H6	H7
C1		1.5035	1.5035	2.4654	2.4654	1.0880	1.0880
C2	1.5035		1.2841	1.0742	2.2772	2.2491	2.2491
C3	1.5035	1.2841		2.2772	1.0742	2.2491	2.2491
H4	2.4654	1.0742	2.2772		3.1396	3.0852	3.0852
H5	2.4654	2.2772	1.0742	3.1396		3.0852	3.0852
H6	1.0880	2.2491	2.2491	3.0852	3.0852		1.8234
H7	1.0880	2.2491	2.2491	3.0852	3.0852	1.8234

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.720	C1	C2	H4	145.549
C1	C3	C2	64.720	C1	C3	H5	145.549
C2	C1	C3	50.560	C2	C1	H6	119.565
C2	C1	H7	119.565	C2	C3	H5	149.731
C3	C1	H6	119.565	C3	C1	H7	119.565
C3	C2	H4	149.731	H6	C1	H7	113.860

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: wB97X-D/Def2TZVPP

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	-0.192
2	C	-0.152
3	C	-0.152
4	H	0.175
5	H	0.175
6	H	0.073
7	H	0.073

	x	y	z	Total
	0.000	0.000	-0.497	0.497
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/Def2TZVPP

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)