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	hartrees
Energy at 0K	-117.909318
Energy at 298.15K
HF Energy	-117.909318
Nuclear repulsion energy	75.534395

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'	3143	3026	0.00	278.04	0.04	0.07
2	A₁'	1527	1470	0.00	1.35	0.27	0.43
3	A₁'	1215	1169	0.00	43.01	0.08	0.15
4	A₁"	1148	1106	0.00	0.00	0.75	0.86
5	A₂'	1085	1045	0.00	0.00	0.75	0.86
6	A₂"	3232	3112	35.70	0.00	0.75	0.86
7	A₂"	862	830	0.90	0.00	0.75	0.86
8	E'	3135	3018	27.57	26.30	0.75	0.86
8	E'	3135	3018	27.57	26.30	0.75	0.86
9	E'	1477	1422	0.59	7.30	0.75	0.86
9	E'	1477	1422	0.59	7.30	0.75	0.86
10	E'	1055	1016	13.16	0.79	0.75	0.86
10	E'	1055	1016	13.16	0.79	0.75	0.86
11	E'	881	848	23.33	12.18	0.75	0.86
11	E'	881	848	23.33	12.18	0.75	0.86
12	E"	3212	3092	0.00	99.30	0.75	0.86
12	E"	3212	3092	0.00	99.30	0.75	0.86
13	E"	1212	1167	0.00	3.32	0.75	0.86
13	E"	1212	1167	0.00	3.32	0.75	0.86
14	E"	742	715	0.00	0.50	0.75	0.86
14	E"	742	715	0.00	0.50	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.872	0.000
C2	0.755	-0.436	0.000
C3	-0.755	-0.436	0.000
H4	0.000	1.463	0.912
H5	1.267	-0.731	0.912
H6	-1.267	-0.731	0.912
H7	0.000	1.463	-0.912
H8	1.267	-0.731	-0.912
H9	-1.267	-0.731	-0.912

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5108	1.5108	1.0862	2.2378	2.2378	1.0862	2.2378	2.2378
C2	1.5108		1.5108	2.2378	1.0862	2.2378	2.2378	1.0862	2.2378
C3	1.5108	1.5108		2.2378	2.2378	1.0862	2.2378	2.2378	1.0862
H4	1.0862	2.2378	2.2378		2.5339	2.5339	1.8230	3.1215	3.1215
H5	2.2378	1.0862	2.2378	2.5339		2.5339	3.1215	1.8230	3.1215
H6	2.2378	2.2378	1.0862	2.5339	2.5339		3.1215	3.1215	1.8230
H7	1.0862	2.2378	2.2378	1.8230	3.1215	3.1215		2.5339	2.5339
H8	2.2378	1.0862	2.2378	3.1215	1.8230	3.1215	2.5339		2.5339
H9	2.2378	2.2378	1.0862	3.1215	3.1215	1.8230	2.5339	2.5339

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.097
C1	C2	H8	118.097	C1	C3	C2	60.000
C1	C3	H6	118.097	C1	C3	H9	118.097
C2	C1	C3	60.000	C2	C1	H4	118.097
C2	C1	H7	118.097	C2	C3	H6	118.097
C2	C3	H9	118.097	C3	C1	H4	118.097
C3	C1	H7	118.097	C3	C2	H5	118.097
C3	C2	H8	118.097	H4	C1	H7	114.112
H5	C2	H8	114.111	H6	C3	H9	114.111

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: B3LYPultrafine/6-31+G**

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	-0.292
2	C	-0.292
3	C	-0.292
4	H	0.146
5	H	0.146
6	H	0.146
7	H	0.146
8	H	0.146
9	H	0.146

<r²>	44.138
(<r²>)^1/2	6.644

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: B3LYPultrafine/6-31+G**

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)