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	hartrees
Energy at 0K	-117.856837
Energy at 298.15K
HF Energy	-117.856837
Nuclear repulsion energy	75.750043

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'	3179	3015	0.00	235.09	0.04	0.08
2	A₁'	1562	1481	0.00	5.00	0.75	0.86
3	A₁'	1234	1170	0.00	28.70	0.09	0.17
4	A₁"	1170	1110	0.00	0.00	0.75	0.86
5	A₂'	1105	1048	0.00	0.00	0.75	0.86
6	A₂"	3269	3100	35.75	0.00	0.75	0.86
7	A₂"	874	829	0.51	0.00	0.75	0.86
8	E'	3170	3006	27.16	19.34	0.75	0.86
8	E'	3170	3006	27.13	19.35	0.75	0.86
9	E'	1505	1428	0.94	8.78	0.75	0.86
9	E'	1505	1428	0.93	8.78	0.75	0.86
10	E'	1083	1028	9.69	0.04	0.75	0.86
10	E'	1083	1028	9.71	0.05	0.75	0.86
11	E'	911	864	20.41	15.47	0.75	0.86
11	E'	911	864	20.42	15.47	0.75	0.86
12	E"	3249	3082	0.00	94.85	0.75	0.86
12	E"	3249	3082	0.00	94.81	0.75	0.86
13	E"	1232	1169	0.00	11.15	0.75	0.86
13	E"	1232	1169	0.00	11.15	0.75	0.86
14	E"	756	718	0.00	2.93	0.75	0.86
14	E"	756	718	0.00	2.91	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.869	0.000
C2	0.752	-0.434	0.000
C3	-0.752	-0.434	0.000
H4	0.000	1.458	0.912
H5	1.263	-0.729	0.912
H6	-1.263	-0.729	0.912
H7	0.000	1.458	-0.912
H8	1.263	-0.729	-0.912
H9	-1.263	-0.729	-0.912

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5047	1.5047	1.0857	2.2315	2.2315	1.0857	2.2315	2.2315
C2	1.5047		1.5047	2.2315	1.0857	2.2315	2.2315	1.0857	2.2315
C3	1.5047	1.5047		2.2315	2.2315	1.0857	2.2315	2.2315	1.0857
H4	1.0857	2.2315	2.2315		2.5261	2.5261	1.8232	3.1153	3.1153
H5	2.2315	1.0857	2.2315	2.5261		2.5261	3.1153	1.8232	3.1153
H6	2.2315	2.2315	1.0857	2.5261	2.5261		3.1153	3.1153	1.8232
H7	1.0857	2.2315	2.2315	1.8232	3.1153	3.1153		2.5261	2.5261
H8	2.2315	1.0857	2.2315	3.1153	1.8232	3.1153	2.5261		2.5261
H9	2.2315	2.2315	1.0857	3.1153	3.1153	1.8232	2.5261	2.5261

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.059
C1	C2	H8	118.059	C1	C3	C2	60.000
C1	C3	H6	118.059	C1	C3	H9	118.059
C2	C1	C3	60.000	C2	C1	H4	118.059
C2	C1	H7	118.059	C2	C3	H6	118.059
C2	C3	H9	118.059	C3	C1	H4	118.059
C3	C1	H7	118.059	C3	C2	H5	118.059
C3	C2	H8	118.059	H4	C1	H7	114.203
H5	C2	H8	114.203	H6	C3	H9	114.203

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: wB97X-D/6-31G*

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	-0.349
2	C	-0.349
3	C	-0.349
4	H	0.175
5	H	0.175
6	H	0.175
7	H	0.175
8	H	0.175
9	H	0.175

<r²>	43.491
(<r²>)^1/2	6.595

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: wB97X-D/6-31G*

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)