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	hartrees
Energy at 0K	-20.480096
Energy at 298.15K	-20.486450
HF Energy	-20.480096
Nuclear repulsion energy	42.456410

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3196	3196	0.00
2	A₁'	1536	1536	0.00
3	A₁'	1236	1236	0.00
4	A₁"	1147	1147	0.00
5	A₂'	1116	1116	0.00
6	A₂"	3303	3303	83.43
7	A₂"	855	855	6.26
8	E'	3178	3178	35.28
8	E'	3178	3178	35.26
9	E'	1475	1475	5.61
9	E'	1475	1475	5.61
10	E'	1072	1072	21.59
10	E'	1072	1072	21.59
11	E'	895	895	30.41
11	E'	895	895	30.41
12	E"	3275	3275	0.00
12	E"	3275	3275	0.00
13	E"	1203	1203	0.00
13	E"	1203	1203	0.00
14	E"	747	747	0.00
14	E"	747	747	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.888	0.000
C2	0.769	-0.444	0.000
C3	-0.769	-0.444	0.000
H4	0.000	1.480	0.917
H5	1.282	-0.740	0.917
H6	-1.282	-0.740	0.917
H7	0.000	1.480	-0.917
H8	1.282	-0.740	-0.917
H9	-1.282	-0.740	-0.917

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5385	1.5385	1.0920	2.2666	2.2666	1.0920	2.2666	2.2666
C2	1.5385		1.5385	2.2666	1.0920	2.2666	2.2666	1.0920	2.2666
C3	1.5385	1.5385		2.2666	2.2666	1.0920	2.2666	2.2666	1.0920
H4	1.0920	2.2666	2.2666		2.5643	2.5643	1.8350	3.1532	3.1532
H5	2.2666	1.0920	2.2666	2.5643		2.5643	3.1532	1.8350	3.1532
H6	2.2666	2.2666	1.0920	2.5643	2.5643		3.1532	3.1532	1.8350
H7	1.0920	2.2666	2.2666	1.8350	3.1532	3.1532		2.5643	2.5643
H8	2.2666	1.0920	2.2666	3.1532	1.8350	3.1532	2.5643		2.5643
H9	2.2666	2.2666	1.0920	3.1532	3.1532	1.8350	2.5643	2.5643

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.012
C1	C2	H8	118.012	C1	C3	C2	60.000
C1	C3	H6	118.012	C1	C3	H9	118.012
C2	C1	C3	60.000	C2	C1	H4	118.012
C2	C1	H7	118.012	C2	C3	H6	118.012
C2	C3	H9	118.012	C3	C1	H4	118.012
C3	C1	H7	118.012	C3	C2	H5	118.012
C3	C2	H8	118.012	H4	C1	H7	114.317
H5	C2	H8	114.317	H6	C3	H9	114.317

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: HSEh1PBE/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	-0.365
2	C	-0.365
3	C	-0.365
4	H	0.182
5	H	0.182
6	H	0.182
7	H	0.182
8	H	0.182
9	H	0.182

<r²>	39.926
(<r²>)^1/2	6.319

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: HSEh1PBE/CEP-31G

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)