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	hartrees
Energy at 0K	-115.924363
Energy at 298.15K	-115.927611
HF Energy	-115.924363
Nuclear repulsion energy	63.386620

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	3358	3228	0.36	110.50	0.12	0.21
2	A₁	3101	2981	39.76	105.01	0.15	0.26
3	A₁	1714	1647	8.11	28.32	0.23	0.37
4	A₁	1555	1495	1.13	14.95	0.36	0.52
5	A₁	1130	1086	1.78	7.20	0.19	0.31
6	A₁	931	895	4.68	9.41	0.60	0.75
7	A₂	1040	1000	0.00	19.24	0.75	0.86
8	A₂	906	870	0.00	0.10	0.75	0.86
9	B₁	3180	3057	40.54	74.83	0.75	0.86
10	B₁	1118	1074	2.37	3.92	0.75	0.86
11	B₁	663	637	106.63	1.21	0.75	0.86
12	B₂	3306	3178	0.45	59.61	0.75	0.86
13	B₂	1102	1059	24.22	0.28	0.75	0.86
14	B₂	1060	1019	56.54	0.49	0.75	0.86
15	B₂	753	724	10.75	17.46	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.877
C2	0.000	0.650	-0.507
C3	0.000	-0.650	-0.507
H4	0.000	1.575	-1.049
H5	0.000	-1.575	-1.049
H6	0.919	0.000	1.461
H7	-0.919	0.000	1.461

	C1	C2	C3	H4	H5	H6	H7
C1		1.5289	1.5289	2.4882	2.4882	1.0889	1.0889
C2	1.5289		1.3005	1.0723	2.2907	2.2673	2.2673
C3	1.5289	1.3005		2.2907	1.0723	2.2673	2.2673
H4	2.4882	1.0723	2.2907		3.1509	3.1029	3.1029
H5	2.4882	2.2907	1.0723	3.1509		3.1029	3.1029
H6	1.0889	2.2673	2.2673	3.1029	3.1029		1.8375
H7	1.0889	2.2673	2.2673	3.1029	3.1029	1.8375

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.831	C1	C2	H4	145.538
C1	C3	C2	64.831	C1	C3	H5	145.538
C2	C1	C3	50.338	C2	C1	H6	119.066
C2	C1	H7	119.066	C2	C3	H5	149.631
C3	C1	H6	119.066	C3	C1	H7	119.066
C3	C2	H4	149.631	H6	C1	H7	115.071

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: B3PW91/3-21G

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	-0.404
2	C	-0.219
3	C	-0.219
4	H	0.210
5	H	0.210
6	H	0.211
7	H	0.211

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

<r²>	37.170
(<r²>)^1/2	6.097

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: B3PW91/3-21G

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)