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	hartrees
Energy at 0K	-116.253344
Energy at 298.15K
HF Energy	-116.198709
Nuclear repulsion energy	74.853544

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'	3450	3450	0.00	87.33	0.06	0.10
2	A₁'	1679	1679	0.00	15.08	0.73	0.85
3	A₁'	1327	1327	0.00	19.59	0.18	0.31
4	A₁"	1276	1276	0.00	0.00	0.75	0.86
5	A₂'	1230	1230	0.00	0.00	0.75	0.86
6	A₂"	3597	3597	0.00	0.00	0.75	0.86
7	A₂"	899	899	0.16	0.00	0.00	0.00
8	E'	3436	3436	1.95	8.59	0.75	0.86
8	E'	3436	3436	1.95	8.59	0.75	0.86
9	E'	1628	1628	0.03	8.59	0.75	0.86
9	E'	1628	1628	0.03	8.59	0.75	0.86
10	E'	1245	1245	0.77	0.00	0.75	0.86
10	E'	1245	1245	0.77	0.00	0.75	0.86
11	E'	1013	1013	6.07	10.98	0.75	0.86
11	E'	1013	1013	6.07	10.98	0.75	0.86
12	E"	3589	3589	0.00	41.30	0.75	0.86
12	E"	3589	3589	0.00	41.30	0.75	0.86
13	E"	1323	1323	0.00	12.39	0.75	0.86
13	E"	1323	1323	0.00	12.39	0.75	0.86
14	E"	820	820	0.00	2.19	0.75	0.86
14	E"	820	820	0.00	2.19	0.75	0.86

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	1.475	0.919
H5	1.277	-0.737	0.919
H6	-1.277	-0.737	0.919
H7	0.000	1.475	-0.919
H8	1.277	-0.737	-0.919
H9	-1.277	-0.737	-0.919

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5260	1.5260	1.0944	2.2574	2.2574	1.0944	2.2574	2.2574
C2	1.5260		1.5260	2.2574	1.0944	2.2574	2.2574	1.0944	2.2574
C3	1.5260	1.5260		2.2574	2.2574	1.0944	2.2574	2.2574	1.0944
H4	1.0944	2.2574	2.2574		2.5544	2.5544	1.8386	3.1473	3.1473
H5	2.2574	1.0944	2.2574	2.5544		2.5544	3.1473	1.8386	3.1473
H6	2.2574	2.2574	1.0944	2.5544	2.5544		3.1473	3.1473	1.8386
H7	1.0944	2.2574	2.2574	1.8386	3.1473	3.1473		2.5544	2.5544
H8	2.2574	1.0944	2.2574	3.1473	1.8386	3.1473	2.5544		2.5544
H9	2.2574	2.2574	1.0944	3.1473	3.1473	1.8386	2.5544	2.5544

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.027
C1	C2	H8	118.027	C1	C3	C2	60.000
C1	C3	H6	118.027	C1	C3	H9	118.027
C2	C1	C3	60.000	C2	C1	H4	118.027
C2	C1	H7	118.027	C2	C3	H6	118.027
C2	C3	H9	118.027	C3	C1	H4	118.027
C3	C1	H7	118.027	C3	C2	H5	118.027
C3	C2	H8	118.027	H4	C1	H7	114.282
H5	C2	H8	114.282	H6	C3	H9	114.282

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: B2PLYP=FULL/STO-3G

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)