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	hartrees
Energy at 0K	-117.777230
Energy at 298.15K
HF Energy	-117.777230
Nuclear repulsion energy	75.912302

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'	3154	3026	0.00	260.72	0.04	0.07
2	A₁'	1537	1475	0.00	2.25	0.69	0.82
3	A₁'	1244	1194	0.00	29.49	0.08	0.15
4	A₁"	1161	1114	0.00	0.00	0.75	0.86
5	A₂'	1079	1036	0.00	0.00	0.75	0.86
6	A₂"	3246	3115	44.13	0.00	0.75	0.86
7	A₂"	863	829	0.64	0.00	0.75	0.86
8	E'	3144	3017	31.09	24.17	0.75	0.86
8	E'	3144	3017	31.09	24.17	0.75	0.86
9	E'	1479	1419	2.73	7.11	0.75	0.86
9	E'	1479	1419	2.73	7.11	0.75	0.86
10	E'	1054	1012	10.59	0.53	0.75	0.86
10	E'	1054	1012	10.59	0.53	0.75	0.86
11	E'	916	879	23.83	11.88	0.75	0.86
11	E'	916	879	23.83	11.88	0.75	0.86
12	E"	3223	3093	0.00	101.19	0.75	0.86
12	E"	3223	3093	0.00	101.19	0.75	0.86
13	E"	1222	1173	0.00	5.74	0.75	0.86
13	E"	1222	1173	0.00	5.74	0.75	0.86
14	E"	747	717	0.00	1.48	0.75	0.86
14	E"	747	717	0.00	1.48	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	1.456	0.910
H5	1.261	-0.728	0.910
H6	-1.261	-0.728	0.910
H7	0.000	1.456	-0.910
H8	1.261	-0.728	-0.910
H9	-1.261	-0.728	-0.910

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5005	1.5005	1.0845	2.2273	2.2273	1.0845	2.2273	2.2273
C2	1.5005		1.5005	2.2273	1.0845	2.2273	2.2273	1.0845	2.2273
C3	1.5005	1.5005		2.2273	2.2273	1.0845	2.2273	2.2273	1.0845
H4	1.0845	2.2273	2.2273		2.5222	2.5222	1.8200	3.1103	3.1103
H5	2.2273	1.0845	2.2273	2.5222		2.5222	3.1103	1.8200	3.1103
H6	2.2273	2.2273	1.0845	2.5222	2.5222		3.1103	3.1103	1.8200
H7	1.0845	2.2273	2.2273	1.8200	3.1103	3.1103		2.5222	2.5222
H8	2.2273	1.0845	2.2273	3.1103	1.8200	3.1103	2.5222		2.5222
H9	2.2273	2.2273	1.0845	3.1103	3.1103	1.8200	2.5222	2.5222

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.101
C1	C2	H8	118.101	C1	C3	C2	60.000
C1	C3	H6	118.101	C1	C3	H9	118.101
C2	C1	C3	60.000	C2	C1	H4	118.101
C2	C1	H7	118.101	C2	C3	H6	118.101
C2	C3	H9	118.101	C3	C1	H4	118.101
C3	C1	H7	118.101	C3	C2	H5	118.101
C3	C2	H8	118.101	H4	C1	H7	114.102
H5	C2	H8	114.102	H6	C3	H9	114.102

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: HSEh1PBE/6-311G*

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	-0.459
2	C	-0.459
3	C	-0.459
4	H	0.230
5	H	0.230
6	H	0.230
7	H	0.230
8	H	0.230
9	H	0.230

<r²>	43.615
(<r²>)^1/2	6.604

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: HSEh1PBE/6-311G*

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)