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	hartrees
Energy at 0K	-117.764617
Energy at 298.15K
HF Energy	-117.764617
Nuclear repulsion energy	75.887124

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'	3173	3028	0.00	245.21	0.04	0.07
2	A₁'	1540	1469	0.00	5.08	0.74	0.85
3	A₁'	1249	1192	0.00	28.90	0.09	0.17
4	A₁"	1160	1107	0.00	0.00	0.75	0.86
5	A₂'	1088	1038	0.00	0.00	0.75	0.86
6	A₂"	3266	3117	28.91	0.00	0.75	0.86
7	A₂"	863	824	0.78	0.00	0.75	0.86
8	E'	3165	3020	23.83	20.02	0.75	0.86
8	E'	3165	3020	23.83	20.02	0.75	0.86
9	E'	1481	1413	1.01	9.07	0.75	0.86
9	E'	1481	1413	1.01	9.07	0.75	0.86
10	E'	1069	1020	9.10	0.03	0.75	0.86
10	E'	1069	1020	9.10	0.03	0.75	0.86
11	E'	924	882	19.71	14.10	0.75	0.86
11	E'	924	882	19.71	14.10	0.75	0.86
12	E"	3247	3099	0.00	93.85	0.75	0.86
12	E"	3247	3099	0.00	93.85	0.75	0.86
13	E"	1219	1163	0.00	10.70	0.75	0.86
13	E"	1219	1163	0.00	10.70	0.75	0.86
14	E"	741	708	0.00	2.55	0.75	0.86
14	E"	741	708	0.00	2.55	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.866	0.000
C2	0.750	-0.433	0.000
C3	-0.750	-0.433	0.000
H4	0.000	1.457	0.911
H5	1.262	-0.728	0.911
H6	-1.262	-0.728	0.911
H7	0.000	1.457	-0.911
H8	1.262	-0.728	-0.911
H9	-1.262	-0.728	-0.911

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5005	1.5005	1.0855	2.2282	2.2282	1.0855	2.2282	2.2282
C2	1.5005		1.5005	2.2282	1.0855	2.2282	2.2282	1.0855	2.2282
C3	1.5005	1.5005		2.2282	2.2282	1.0855	2.2282	2.2282	1.0855
H4	1.0855	2.2282	2.2282		2.5234	2.5234	1.8215	3.1121	3.1121
H5	2.2282	1.0855	2.2282	2.5234		2.5234	3.1121	1.8215	3.1121
H6	2.2282	2.2282	1.0855	2.5234	2.5234		3.1121	3.1121	1.8215
H7	1.0855	2.2282	2.2282	1.8215	3.1121	3.1121		2.5234	2.5234
H8	2.2282	1.0855	2.2282	3.1121	1.8215	3.1121	2.5234		2.5234
H9	2.2282	2.2282	1.0855	3.1121	3.1121	1.8215	2.5234	2.5234

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.109
C1	C2	H8	118.109	C1	C3	C2	60.000
C1	C3	H6	118.109	C1	C3	H9	118.109
C2	C1	C3	60.000	C2	C1	H4	118.109
C2	C1	H7	118.109	C2	C3	H6	118.109
C2	C3	H9	118.109	C3	C1	H4	118.109
C3	C1	H7	118.109	C3	C2	H5	118.109
C3	C2	H8	118.109	H4	C1	H7	114.081
H5	C2	H8	114.081	H6	C3	H9	114.081

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: HSEh1PBE/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	-0.277
2	C	-0.277
3	C	-0.277
4	H	0.138
5	H	0.138
6	H	0.138
7	H	0.138
8	H	0.138
9	H	0.138

<r²>	43.396
(<r²>)^1/2	6.588

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: HSEh1PBE/6-31G**

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)