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	hartrees
Energy at 0K	-116.345309
Energy at 298.15K
HF Energy	-116.345309
Nuclear repulsion energy	75.200775

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁'	3462	3053	0.00	87.09	0.05	0.10
2	A₁'	1676	1478	0.00	14.14	0.72	0.84
3	A₁'	1346	1187	0.00	19.56	0.20	0.33
4	A₁"	1268	1118	0.00	0.00	0.75	0.86
5	A₂'	1225	1081	0.00	0.00	0.75	0.86
6	A₂"	3608	3183	0.69	0.00	0.75	0.86
7	A₂"	898	792	0.75	0.00	0.75	0.86
8	E'	3447	3040	3.48	8.56	0.75	0.86
8	E'	3447	3040	3.48	8.56	0.75	0.86
9	E'	1616	1426	0.76	8.34	0.75	0.86
9	E'	1616	1426	0.76	8.34	0.75	0.86
10	E'	1242	1095	2.14	0.01	0.75	0.86
10	E'	1242	1095	2.14	0.01	0.75	0.86
11	E'	1025	904	7.77	10.40	0.75	0.86
11	E'	1025	904	7.77	10.40	0.75	0.86
12	E"	3600	3175	0.00	40.30	0.75	0.86
12	E"	3600	3175	0.00	40.30	0.75	0.86
13	E"	1316	1161	0.00	11.83	0.75	0.86
13	E"	1316	1161	0.00	11.83	0.75	0.86
14	E"	816	720	0.00	2.16	0.75	0.86
14	E"	816	720	0.00	2.16	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.876	0.000
C2	0.758	-0.438	0.000
C3	-0.758	-0.438	0.000
H4	0.000	1.469	0.917
H5	1.272	-0.734	0.917
H6	-1.272	-0.734	0.917
H7	0.000	1.469	-0.917
H8	1.272	-0.734	-0.917
H9	-1.272	-0.734	-0.917

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5167	1.5167	1.0922	2.2476	2.2476	1.0922	2.2476	2.2476
C2	1.5167		1.5167	2.2476	1.0922	2.2476	2.2476	1.0922	2.2476
C3	1.5167	1.5167		2.2476	2.2476	1.0922	2.2476	2.2476	1.0922
H4	1.0922	2.2476	2.2476		2.5442	2.5442	1.8341	3.1364	3.1364
H5	2.2476	1.0922	2.2476	2.5442		2.5442	3.1364	1.8341	3.1364
H6	2.2476	2.2476	1.0922	2.5442	2.5442		3.1364	3.1364	1.8341
H7	1.0922	2.2476	2.2476	1.8341	3.1364	3.1364		2.5442	2.5442
H8	2.2476	1.0922	2.2476	3.1364	1.8341	3.1364	2.5442		2.5442
H9	2.2476	2.2476	1.0922	3.1364	3.1364	1.8341	2.5442	2.5442

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.059
C1	C2	H8	118.059	C1	C3	C2	60.000
C1	C3	H6	118.059	C1	C3	H9	118.059
C2	C1	C3	60.000	C2	C1	H4	118.059
C2	C1	H7	118.059	C2	C3	H6	118.059
C2	C3	H9	118.059	C3	C1	H4	118.059
C3	C1	H7	118.059	C3	C2	H5	118.059
C3	C2	H8	118.059	H4	C1	H7	114.203
H5	C2	H8	114.203	H6	C3	H9	114.203

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: PBE1PBE/STO-3G

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	-0.174
2	C	-0.174
3	C	-0.174
4	H	0.087
5	H	0.087
6	H	0.087
7	H	0.087
8	H	0.087
9	H	0.087

<r²>	43.385
(<r²>)^1/2	6.587

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: PBE1PBE/STO-3G

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)