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	hartrees
Energy at 0K	-117.798948
Energy at 298.15K
HF Energy	-117.798948
Nuclear repulsion energy	76.099736

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'	3155	3032	0.00	299.45	0.03	0.05
2	A₁'	1520	1461	0.00	1.62	0.67	0.80
3	A₁'	1237	1189	0.00	36.31	0.07	0.12
4	A₁"	1156	1111	0.00	0.00	0.75	0.86
5	A₂'	1091	1049	0.00	0.00	0.75	0.86
6	A₂"	3246	3120	26.12	0.00	0.75	0.86
7	A₂"	858	825	0.80	0.00	0.75	0.86
8	E'	3147	3025	23.53	22.82	0.75	0.86
8	E'	3147	3025	23.53	22.82	0.75	0.86
9	E'	1468	1411	1.62	6.34	0.75	0.86
9	E'	1468	1411	1.62	6.34	0.75	0.86
10	E'	1056	1014	8.88	0.95	0.75	0.86
10	E'	1056	1014	8.88	0.95	0.75	0.86
11	E'	915	879	21.04	10.34	0.75	0.86
11	E'	915	879	21.04	10.33	0.75	0.86
12	E"	3225	3099	0.00	98.05	0.75	0.86
12	E"	3225	3099	0.00	98.05	0.75	0.86
13	E"	1212	1165	0.00	3.46	0.75	0.86
13	E"	1212	1165	0.00	3.46	0.75	0.86
14	E"	741	712	0.00	1.01	0.75	0.86
14	E"	741	712	0.00	1.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.864	0.000
C2	0.749	-0.432	0.000
C3	-0.749	-0.432	0.000
H4	0.000	1.451	0.909
H5	1.257	-0.726	0.909
H6	-1.257	-0.726	0.909
H7	0.000	1.451	-0.909
H8	1.257	-0.726	-0.909
H9	-1.257	-0.726	-0.909

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4971	1.4971	1.0817	2.2211	2.2211	1.0817	2.2211	2.2211
C2	1.4971		1.4971	2.2211	1.0817	2.2211	2.2211	1.0817	2.2211
C3	1.4971	1.4971		2.2211	2.2211	1.0817	2.2211	2.2211	1.0817
H4	1.0817	2.2211	2.2211		2.5135	2.5135	1.8174	3.1017	3.1017
H5	2.2211	1.0817	2.2211	2.5135		2.5135	3.1017	1.8174	3.1017
H6	2.2211	2.2211	1.0817	2.5135	2.5135		3.1017	3.1017	1.8174
H7	1.0817	2.2211	2.2211	1.8174	3.1017	3.1017		2.5135	2.5135
H8	2.2211	1.0817	2.2211	3.1017	1.8174	3.1017	2.5135		2.5135
H9	2.2211	2.2211	1.0817	3.1017	3.1017	1.8174	2.5135	2.5135

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.022
C1	C2	H8	118.022	C1	C3	C2	60.000
C1	C3	H6	118.022	C1	C3	H9	118.022
C2	C1	C3	60.000	C2	C1	H4	118.022
C2	C1	H7	118.022	C2	C3	H6	118.022
C2	C3	H9	118.022	C3	C1	H4	118.022
C3	C1	H7	118.022	C3	C2	H5	118.022
C3	C2	H8	118.022	H4	C1	H7	114.294
H5	C2	H8	114.294	H6	C3	H9	114.294

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: HSEh1PBE/cc-pVTZ

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	-0.215
2	C	-0.215
3	C	-0.215
4	H	0.107
5	H	0.107
6	H	0.107
7	H	0.107
8	H	0.107
9	H	0.107

<r²>	43.463
(<r²>)^1/2	6.593

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)