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	hartrees
Energy at 0K	-117.766074
Energy at 298.15K
HF Energy	-117.618672
Nuclear repulsion energy	75.414109

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'	3168	3047	0.00	328.85	0.02	0.04
2	A₁'	1519	1461	0.00	2.54	0.09	0.17
3	A₁'	1220	1174	0.00	46.84	0.06	0.11
4	A₁"	1147	1104	0.00	0.00	0.75	0.86
5	A₂'	1063	1022	0.00	0.00	0.75	0.86
6	A₂"	3265	3141	30.07	0.00	0.75	0.86
7	A₂"	855	822	0.38	0.00	0.75	0.86
8	E'	3158	3037	22.56	24.71	0.75	0.86
8	E'	3158	3037	22.56	24.71	0.75	0.86
9	E'	1468	1412	0.75	4.55	0.75	0.86
9	E'	1468	1412	0.75	4.56	0.75	0.86
10	E'	1040	1000	8.48	1.31	0.75	0.86
10	E'	1040	1000	8.48	1.31	0.75	0.86
11	E'	885	852	19.40	8.95	0.75	0.86
11	E'	885	852	19.40	8.95	0.75	0.86
12	E"	3245	3121	0.00	95.10	0.75	0.86
12	E"	3245	3121	0.00	95.10	0.75	0.86
13	E"	1204	1158	0.00	1.20	0.75	0.86
13	E"	1204	1158	0.00	1.20	0.75	0.86
14	E"	734	706	0.00	0.38	0.75	0.86
14	E"	734	706	0.00	0.38	0.75	0.86

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	1.462	0.916
H5	1.266	-0.731	0.916
H6	-1.266	-0.731	0.916
H7	0.000	1.462	-0.916
H8	1.266	-0.731	-0.916
H9	-1.266	-0.731	-0.916

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5133	1.5133	1.0885	2.2397	2.2397	1.0885	2.2397	2.2397
C2	1.5133		1.5133	2.2397	1.0885	2.2397	2.2397	1.0885	2.2397
C3	1.5133	1.5133		2.2397	2.2397	1.0885	2.2397	2.2397	1.0885
H4	1.0885	2.2397	2.2397		2.5318	2.5318	1.8321	3.1252	3.1252
H5	2.2397	1.0885	2.2397	2.5318		2.5318	3.1252	1.8321	3.1252
H6	2.2397	2.2397	1.0885	2.5318	2.5318		3.1252	3.1252	1.8321
H7	1.0885	2.2397	2.2397	1.8321	3.1252	3.1252		2.5318	2.5318
H8	2.2397	1.0885	2.2397	3.1252	1.8321	3.1252	2.5318		2.5318
H9	2.2397	2.2397	1.0885	3.1252	3.1252	1.8321	2.5318	2.5318

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.893
C1	C2	H8	117.893	C1	C3	C2	60.000
C1	C3	H6	117.893	C1	C3	H9	117.893
C2	C1	C3	60.000	C2	C1	H4	117.893
C2	C1	H7	117.893	C2	C3	H6	117.893
C2	C3	H9	117.893	C3	C1	H4	117.893
C3	C1	H7	117.893	C3	C2	H5	117.893
C3	C2	H8	117.893	H4	C1	H7	114.607
H5	C2	H8	114.606	H6	C3	H9	114.606

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: B2PLYP=FULL/aug-cc-pVDZ

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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All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: B2PLYP=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)