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	hartrees
Energy at 0K	-115.666163
Energy at 298.15K
HF Energy	-115.666163
Nuclear repulsion energy	75.935142

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'	3672	2998	0.00	89.32	0.06	0.11
2	A₁'	1828	1493	0.00	14.37	0.65	0.79
3	A₁'	1445	1180	0.00	24.02	0.20	0.34
4	A₁"	1380	1127	0.00	0.00	0.00	0.00
5	A₂'	1365	1114	0.00	0.00	0.00	0.00
6	A₂"	3815	3115	0.19	0.00	0.00	0.00
7	A₂"	964	787	0.02	0.00	0.00	0.00
8	E'	3651	2981	4.59	9.35	0.75	0.86
8	E'	3651	2981	4.59	9.35	0.75	0.86
9	E'	1753	1431	0.00	8.52	0.75	0.86
9	E'	1753	1431	0.00	8.52	0.75	0.86
10	E'	1393	1138	0.15	0.18	0.75	0.86
10	E'	1393	1138	0.15	0.18	0.75	0.86
11	E'	1116	911	6.38	12.68	0.75	0.86
11	E'	1116	911	6.38	12.68	0.75	0.86
12	E"	3809	3110	0.00	45.19	0.75	0.86
12	E"	3809	3110	0.00	45.19	0.75	0.86
13	E"	1430	1168	0.00	12.58	0.75	0.86
13	E"	1430	1168	0.00	12.58	0.75	0.86
14	E"	892	728	0.00	2.43	0.75	0.86
14	E"	892	728	0.00	2.43	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.867	0.000
C2	0.751	-0.434	0.000
C3	-0.751	-0.434	0.000
H4	0.000	1.457	0.905
H5	1.262	-0.729	0.905
H6	-1.262	-0.729	0.905
H7	0.000	1.457	-0.905
H8	1.262	-0.729	-0.905
H9	-1.262	-0.729	-0.905

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5023	1.5023	1.0807	2.2271	2.2271	1.0807	2.2271	2.2271
C2	1.5023		1.5023	2.2271	1.0807	2.2271	2.2271	1.0807	2.2271
C3	1.5023	1.5023		2.2271	2.2271	1.0807	2.2271	2.2271	1.0807
H4	1.0807	2.2271	2.2271		2.5242	2.5242	1.8108	3.1066	3.1066
H5	2.2271	1.0807	2.2271	2.5242		2.5242	3.1066	1.8108	3.1066
H6	2.2271	2.2271	1.0807	2.5242	2.5242		3.1066	3.1066	1.8108
H7	1.0807	2.2271	2.2271	1.8108	3.1066	3.1066		2.5242	2.5242
H8	2.2271	1.0807	2.2271	3.1066	1.8108	3.1066	2.5242		2.5242
H9	2.2271	2.2271	1.0807	3.1066	3.1066	1.8108	2.5242	2.5242

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.217
C1	C2	H8	118.217	C1	C3	C2	60.000
C1	C3	H6	118.217	C1	C3	H9	118.217
C2	C1	C3	60.000	C2	C1	H4	118.217
C2	C1	H7	118.217	C2	C3	H6	118.217
C2	C3	H9	118.217	C3	C1	H4	118.217
C3	C1	H7	118.217	C3	C2	H5	118.217
C3	C2	H8	118.217	H4	C1	H7	113.821
H5	C2	H8	113.821	H6	C3	H9	113.821

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: HF/STO-3G

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	-0.136
2	C	-0.136
3	C	-0.136
4	H	0.068
5	H	0.068
6	H	0.068
7	H	0.068
8	H	0.068
9	H	0.068

<r²>	43.027
(<r²>)^1/2	6.559

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: HF/STO-3G

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)