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	hartrees
Energy at 0K	-117.786349
Energy at 298.15K
HF Energy	-117.786349
Nuclear repulsion energy	74.677654

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'	3084	3060	0.00	247.75	0.04	0.07
2	A₁'	1504	1493	0.00	9.82	0.61	0.76
3	A₁'	1180	1171	0.00	27.38	0.08	0.14
4	A₁"	1131	1122	0.00	0.00	0.75	0.86
5	A₂'	1098	1090	0.00	0.00	0.75	0.86
6	A₂"	3173	3149	54.65	0.00	0.75	0.86
7	A₂"	860	853	0.99	0.00	0.75	0.86
8	E'	3073	3050	30.38	20.96	0.75	0.86
8	E'	3073	3050	30.38	20.96	0.75	0.86
9	E'	1483	1472	1.09	11.29	0.75	0.86
9	E'	1483	1472	1.09	11.29	0.75	0.86
10	E'	1057	1049	16.12	0.40	0.75	0.86
10	E'	1057	1049	16.12	0.40	0.75	0.86
11	E'	842	836	15.63	15.74	0.75	0.86
11	E'	842	836	15.63	15.74	0.75	0.86
12	E"	3148	3125	0.00	98.05	0.75	0.86
12	E"	3148	3125	0.00	98.05	0.75	0.86
13	E"	1203	1194	0.00	13.45	0.75	0.86
13	E"	1203	1194	0.00	13.44	0.75	0.86
14	E"	744	739	0.00	3.57	0.75	0.86
14	E"	744	739	0.00	3.57	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.884	0.000
C2	0.766	-0.442	0.000
C3	-0.766	-0.442	0.000
H4	0.000	1.482	0.915
H5	1.284	-0.741	0.915
H6	-1.284	-0.741	0.915
H7	0.000	1.482	-0.915
H8	1.284	-0.741	-0.915
H9	-1.284	-0.741	-0.915

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5319	1.5319	1.0928	2.2644	2.2644	1.0928	2.2644	2.2644
C2	1.5319		1.5319	2.2644	1.0928	2.2644	2.2644	1.0928	2.2644
C3	1.5319	1.5319		2.2644	2.2644	1.0928	2.2644	2.2644	1.0928
H4	1.0928	2.2644	2.2644		2.5675	2.5675	1.8294	3.1526	3.1526
H5	2.2644	1.0928	2.2644	2.5675		2.5675	3.1526	1.8294	3.1526
H6	2.2644	2.2644	1.0928	2.5675	2.5675		3.1526	3.1526	1.8294
H7	1.0928	2.2644	2.2644	1.8294	3.1526	3.1526		2.5675	2.5675
H8	2.2644	1.0928	2.2644	3.1526	1.8294	3.1526	2.5675		2.5675
H9	2.2644	2.2644	1.0928	3.1526	3.1526	1.8294	2.5675	2.5675

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.283
C1	C2	H8	118.283	C1	C3	C2	60.000
C1	C3	H6	118.283	C1	C3	H9	118.283
C2	C1	C3	60.000	C2	C1	H4	118.283
C2	C1	H7	118.283	C2	C3	H6	118.283
C2	C3	H9	118.283	C3	C1	H4	118.283
C3	C1	H7	118.283	C3	C2	H5	118.283
C3	C2	H8	118.283	H4	C1	H7	113.659
H5	C2	H8	113.659	H6	C3	H9	113.659

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: BLYP/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	-0.248
2	C	-0.248
3	C	-0.248
4	H	0.124
5	H	0.124
6	H	0.124
7	H	0.124
8	H	0.124
9	H	0.124

<r²>	44.649
(<r²>)^1/2	6.682

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: BLYP/6-31G

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)