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	hartrees
Energy at 0K	-117.725456
Energy at 298.15K	-117.731842
HF Energy	-117.725456
Nuclear repulsion energy	75.125106

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3203	3203	0.00
2	A₁'	1536	1536	0.00
3	A₁'	1243	1243	0.00
4	A₁"	1155	1155	0.00
5	A₂'	1140	1140	0.00
6	A₂"	3311	3311	50.69
7	A₂"	870	870	5.76
8	E'	3186	3186	27.60
8	E'	3186	3186	27.60
9	E'	1495	1495	7.84
9	E'	1495	1495	7.84
10	E'	1089	1089	23.12
10	E'	1089	1089	23.13
11	E'	899	899	28.26
11	E'	899	899	28.26
12	E"	3286	3286	0.00
12	E"	3286	3286	0.00
13	E"	1223	1223	0.00
13	E"	1223	1223	0.00
14	E"	765	765	0.00
14	E"	765	765	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.880	0.000
C2	0.762	-0.440	0.000
C3	-0.762	-0.440	0.000
H4	0.000	1.471	0.910
H5	1.274	-0.735	0.910
H6	-1.274	-0.735	0.910
H7	0.000	1.471	-0.910
H8	1.274	-0.735	-0.910
H9	-1.274	-0.735	-0.910

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5241	1.5241	1.0852	2.2493	2.2493	1.0852	2.2493	2.2493
C2	1.5241		1.5241	2.2493	1.0852	2.2493	2.2493	1.0852	2.2493
C3	1.5241	1.5241		2.2493	2.2493	1.0852	2.2493	2.2493	1.0852
H4	1.0852	2.2493	2.2493		2.5470	2.5470	1.8208	3.1309	3.1309
H5	2.2493	1.0852	2.2493	2.5470		2.5471	3.1309	1.8208	3.1309
H6	2.2493	2.2493	1.0852	2.5470	2.5471		3.1309	3.1309	1.8208
H7	1.0852	2.2493	2.2493	1.8208	3.1309	3.1309		2.5470	2.5470
H8	2.2493	1.0852	2.2493	3.1309	1.8208	3.1309	2.5470		2.5471
H9	2.2493	2.2493	1.0852	3.1309	3.1309	1.8208	2.5470	2.5471

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.121
C1	C2	H8	118.121	C1	C3	C2	60.000
C1	C3	H6	118.121	C1	C3	H9	118.121
C2	C1	C3	60.000	C2	C1	H4	118.121
C2	C1	H7	118.121	C2	C3	H6	118.121
C2	C3	H9	118.121	C3	C1	H4	118.121
C3	C1	H7	118.121	C3	C2	H5	118.121
C3	C2	H8	118.121	H4	C1	H7	114.053
H5	C2	H8	114.053	H6	C3	H9	114.053

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: PBE1PBE/SDD

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	-0.461
2	C	-0.461
3	C	-0.461
4	H	0.231
5	H	0.231
6	H	0.231
7	H	0.231
8	H	0.231
9	H	0.231

<r²>	44.151
(<r²>)^1/2	6.645

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: PBE1PBE/SDD

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)