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	hartrees
Energy at 0K	-19.860083
Energy at 298.15K	-19.866597
Nuclear repulsion energy	42.782963

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3342	3013	0.00
2	A₁'	1662	1498	0.00
3	A₁'	1289	1162	0.00
4	A₁"	1252	1129	0.00
5	A₂'	1242	1120	0.00
6	A₂"	3439	3100	125.02
7	A₂"	910	821	1.82
8	E'	3321	2993	51.84
8	E'	3321	2993	51.84
9	E'	1599	1441	2.55
9	E'	1599	1441	2.55
10	E'	1189	1072	8.23
10	E'	1189	1072	8.23
11	E'	928	837	41.22
11	E'	928	837	41.22
12	E"	3413	3076	0.00
12	E"	3413	3076	0.00
13	E"	1309	1180	0.00
13	E"	1309	1180	0.00
14	E"	812	732	0.00
14	E"	812	732	0.00

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	1.471	0.906
H5	1.274	-0.735	0.906
H6	-1.274	-0.735	0.906
H7	0.000	1.471	-0.906
H8	1.274	-0.735	-0.906
H9	-1.274	-0.735	-0.906

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5311	1.5311	1.0791	2.2506	2.2506	1.0791	2.2506	2.2506
C2	1.5311		1.5311	2.2506	1.0791	2.2506	2.2506	1.0791	2.2506
C3	1.5311	1.5311		2.2506	2.2506	1.0791	2.2506	2.2506	1.0791
H4	1.0791	2.2506	2.2506		2.5478	2.5478	1.8111	3.1259	3.1259
H5	2.2506	1.0791	2.2506	2.5478		2.5478	3.1259	1.8111	3.1259
H6	2.2506	2.2506	1.0791	2.5478	2.5478		3.1259	3.1259	1.8111
H7	1.0791	2.2506	2.2506	1.8111	3.1259	3.1259		2.5478	2.5478
H8	2.2506	1.0791	2.2506	3.1259	1.8111	3.1259	2.5478		2.5478
H9	2.2506	2.2506	1.0791	3.1259	3.1259	1.8111	2.5478	2.5478

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.102
C1	C2	H8	118.102	C1	C3	C2	60.000
C1	C3	H6	118.102	C1	C3	H9	118.102
C2	C1	C3	60.000	C2	C1	H4	118.102
C2	C1	H7	118.102	C2	C3	H6	118.102
C2	C3	H9	118.102	C3	C1	H4	118.102
C3	C1	H7	118.102	C3	C2	H5	118.102
C3	C2	H8	118.102	H4	C1	H7	114.098
H5	C2	H8	114.098	H6	C3	H9	114.098

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: HF/CEP-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	-0.280
2	C	-0.280
3	C	-0.280
4	H	0.140
5	H	0.140
6	H	0.140
7	H	0.140
8	H	0.140
9	H	0.140

<r²>	39.798
(<r²>)^1/2	6.309

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: HF/CEP-31G

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)