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	hartrees
Energy at 0K	-117.831101
Energy at 298.15K
HF Energy	-117.831101
Nuclear repulsion energy	75.279574

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'	3087	3087	0.00	351.95	0.02	0.04
2	A₁'	1478	1478	0.00	1.52	0.21	0.34
3	A₁'	1196	1196	0.00	45.67	0.05	0.10
4	A₁"	1117	1117	0.00	0.00	0.75	0.86
5	A₂'	1024	1024	0.00	0.00	0.75	0.86
6	A₂"	3185	3185	47.38	0.00	0.75	0.86
7	A₂"	844	844	0.44	0.00	0.75	0.86
8	E'	3080	3080	34.67	29.03	0.75	0.86
8	E'	3080	3080	34.67	28.99	0.75	0.86
9	E'	1432	1432	0.49	5.13	0.75	0.86
9	E'	1432	1432	0.49	5.15	0.75	0.86
10	E'	1006	1006	8.14	1.16	0.75	0.86
10	E'	1006	1006	8.14	1.16	0.75	0.86
11	E'	877	877	17.84	7.52	0.75	0.86
11	E'	877	877	17.84	7.53	0.75	0.86
12	E"	3163	3163	0.00	107.37	0.75	0.86
12	E"	3163	3163	0.00	107.35	0.75	0.86
13	E"	1174	1174	0.00	0.96	0.75	0.86
13	E"	1174	1174	0.00	0.96	0.75	0.86
14	E"	720	720	0.00	0.41	0.75	0.86
14	E"	720	720	0.00	0.41	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.874	0.000
C2	0.757	-0.437	0.000
C3	-0.757	-0.437	0.000
H4	0.000	1.466	0.919
H5	1.270	-0.733	0.919
H6	-1.270	-0.733	0.919
H7	0.000	1.466	-0.919
H8	1.270	-0.733	-0.919
H9	-1.270	-0.733	-0.919

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5139	1.5139	1.0930	2.2448	2.2448	1.0930	2.2448	2.2448
C2	1.5139		1.5139	2.2448	1.0930	2.2448	2.2448	1.0930	2.2448
C3	1.5139	1.5139		2.2448	2.2448	1.0930	2.2448	2.2448	1.0930
H4	1.0930	2.2448	2.2448		2.5394	2.5394	1.8375	3.1345	3.1345
H5	2.2448	1.0930	2.2448	2.5394		2.5394	3.1345	1.8375	3.1345
H6	2.2448	2.2448	1.0930	2.5394	2.5394		3.1345	3.1345	1.8375
H7	1.0930	2.2448	2.2448	1.8375	3.1345	3.1345		2.5394	2.5394
H8	2.2448	1.0930	2.2448	3.1345	1.8375	3.1345	2.5394		2.5394
H9	2.2448	2.2448	1.0930	3.1345	3.1345	1.8375	2.5394	2.5394

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.978
C1	C2	H8	117.978	C1	C3	C2	60.000
C1	C3	H6	117.978	C1	C3	H9	117.978
C2	C1	C3	60.000	C2	C1	H4	117.978
C2	C1	H7	117.978	C2	C3	H6	117.978
C2	C3	H9	117.978	C3	C1	H4	117.978
C3	C1	H7	117.978	C3	C2	H5	117.978
C3	C2	H8	117.978	H4	C1	H7	114.401
H5	C2	H8	114.401	H6	C3	H9	114.401

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: B97D3/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	1.067
2	C	1.067
3	C	1.067
4	H	-0.534
5	H	-0.534
6	H	-0.534
7	H	-0.534
8	H	-0.534
9	H	-0.534

<r²>	44.314
(<r²>)^1/2	6.657

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: B97D3/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)