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	hartrees
Energy at 0K	-20.511173
Energy at 298.15K	-20.517454
HF Energy	-20.511173
Nuclear repulsion energy	42.641233

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3181	3181	0.00
2	A₁'	1537	1537	0.00
3	A₁'	1232	1232	0.00
4	A₁"	1139	1139	0.00
5	A₂'	1048	1048	0.00
6	A₂"	3280	3280	58.86
7	A₂"	830	830	3.42
8	E'	3170	3170	32.52
8	E'	3170	3170	32.53
9	E'	1451	1451	1.91
9	E'	1451	1451	1.91
10	E'	1034	1034	10.47
10	E'	1034	1034	10.48
11	E'	906	906	29.49
11	E'	906	906	29.49
12	E"	3257	3257	0.00
12	E"	3257	3257	0.00
13	E"	1185	1185	0.00
13	E"	1185	1185	0.00
14	E"	705	705	0.00
14	E"	705	705	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.881	0.000
C2	0.763	-0.441	0.000
C3	-0.763	-0.441	0.000
H4	0.000	1.470	0.921
H5	1.273	-0.735	0.921
H6	-1.273	-0.735	0.921
H7	0.000	1.470	-0.921
H8	1.273	-0.735	-0.921
H9	-1.273	-0.735	-0.921

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5260	1.5260	1.0938	2.2545	2.2545	1.0938	2.2545	2.2545
C2	1.5260		1.5260	2.2545	1.0938	2.2545	2.2545	1.0938	2.2545
C3	1.5260	1.5260		2.2545	2.2545	1.0938	2.2545	2.2545	1.0938
H4	1.0938	2.2545	2.2545		2.5467	2.5467	1.8430	3.1436	3.1436
H5	2.2545	1.0938	2.2545	2.5467		2.5467	3.1436	1.8430	3.1436
H6	2.2545	2.2545	1.0938	2.5467	2.5467		3.1436	3.1436	1.8430
H7	1.0938	2.2545	2.2545	1.8430	3.1436	3.1436		2.5467	2.5467
H8	2.2545	1.0938	2.2545	3.1436	1.8430	3.1436	2.5467		2.5467
H9	2.2545	2.2545	1.0938	3.1436	3.1436	1.8430	2.5467	2.5467

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.814
C1	C2	H8	117.814	C1	C3	C2	60.000
C1	C3	H6	117.814	C1	C3	H9	117.814
C2	C1	C3	60.000	C2	C1	H4	117.814
C2	C1	H7	117.814	C2	C3	H6	117.814
C2	C3	H9	117.814	C3	C1	H4	117.814
C3	C1	H7	117.814	C3	C2	H5	117.814
C3	C2	H8	117.814	H4	C1	H7	114.797
H5	C2	H8	114.797	H6	C3	H9	114.797

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	-0.374
2	C	-0.374
3	C	-0.374
4	H	0.187
5	H	0.187
6	H	0.187
7	H	0.187
8	H	0.187
9	H	0.187

<r²>	39.547
(<r²>)^1/2	6.289

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)