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	hartrees
Energy at 0K	-117.824840
Energy at 298.15K	-117.831255
Nuclear repulsion energy	75.444392

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3180	3046	0.00
2	A₁'	1550	1485	0.00
3	A₁'	1241	1188	0.00
4	A₁"	1167	1117	0.00
5	A₂'	1149	1101	0.00
6	A₂"	3275	3136	39.36
7	A₂"	881	844	1.40
8	E'	3168	3034	23.70
8	E'	3168	3034	23.70
9	E'	1517	1453	3.16
9	E'	1517	1453	3.16
10	E'	1102	1056	19.42
10	E'	1102	1056	19.41
11	E'	904	866	21.92
11	E'	904	866	21.92
12	E"	3251	3113	0.00
12	E"	3251	3113	0.00
13	E"	1238	1186	0.00
13	E"	1238	1186	0.00
14	E"	774	741	0.00
14	E"	774	741	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.874	0.000
C2	0.757	-0.437	0.000
C3	-0.757	-0.437	0.000
H4	0.000	1.467	0.909
H5	1.271	-0.734	0.909
H6	-1.271	-0.734	0.909
H7	0.000	1.467	-0.909
H8	1.271	-0.734	-0.909
H9	-1.271	-0.734	-0.909

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5138	1.5138	1.0852	2.2417	2.2417	1.0852	2.2417	2.2417
C2	1.5138		1.5138	2.2417	1.0852	2.2417	2.2417	1.0852	2.2417
C3	1.5138	1.5138		2.2417	2.2417	1.0852	2.2417	2.2417	1.0852
H4	1.0852	2.2417	2.2417		2.5417	2.5417	1.8170	3.1244	3.1244
H5	2.2417	1.0852	2.2417	2.5417		2.5417	3.1244	1.8170	3.1244
H6	2.2417	2.2417	1.0852	2.5417	2.5417		3.1244	3.1244	1.8170
H7	1.0852	2.2417	2.2417	1.8170	3.1244	3.1244		2.5417	2.5417
H8	2.2417	1.0852	2.2417	3.1244	1.8170	3.1244	2.5417		2.5417
H9	2.2417	2.2417	1.0852	3.1244	3.1244	1.8170	2.5417	2.5417

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.269
C1	C2	H8	118.269	C1	C3	C2	60.000
C1	C3	H6	118.269	C1	C3	H9	118.269
C2	C1	C3	60.000	C2	C1	H4	118.269
C2	C1	H7	118.269	C2	C3	H6	118.269
C2	C3	H9	118.269	C3	C1	H4	118.269
C3	C1	H7	118.269	C3	C2	H5	118.269
C3	C2	H8	118.269	H4	C1	H7	113.693
H5	C2	H8	113.693	H6	C3	H9	113.693

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: B3PW91/6-31G

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	-0.340
2	C	-0.340
3	C	-0.340
4	H	0.170
5	H	0.170
6	H	0.170
7	H	0.170
8	H	0.170
9	H	0.170

<r²>	43.844
(<r²>)^1/2	6.621

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: B3PW91/6-31G

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)