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	hartrees
Energy at 0K	-117.838070
Energy at 298.15K
HF Energy	-117.651929
Nuclear repulsion energy	76.008789

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	3039	0.00	326.58	0.02	0.04
2	A₁'	1532	1470	0.00	2.01	0.15	0.27
3	A₁'	1221	1172	0.00	45.63	0.05	0.10
4	A₁"	1160	1113	0.00	0.00	0.75	0.86
5	A₂'	1095	1051	0.00	0.00	0.75	0.86
6	A₂"	3253	3121	26.34	0.00	0.75	0.86
7	A₂"	863	828	0.47	0.00	0.75	0.86
8	E'	3158	3030	21.27	24.03	0.75	0.86
8	E'	3158	3030	21.27	24.03	0.75	0.86
9	E'	1487	1427	0.79	4.38	0.75	0.86
9	E'	1487	1427	0.79	4.38	0.75	0.86
10	E'	1056	1013	9.19	1.10	0.75	0.86
10	E'	1056	1013	9.19	1.10	0.75	0.86
11	E'	889	853	19.42	7.59	0.75	0.86
11	E'	889	853	19.42	7.59	0.75	0.86
12	E"	3232	3100	0.00	92.83	0.75	0.86
12	E"	3232	3100	0.00	92.83	0.75	0.86
13	E"	1221	1172	0.00	1.06	0.75	0.86
13	E"	1221	1172	0.00	1.06	0.75	0.86
14	E"	744	713	0.00	0.39	0.75	0.86
14	E"	744	713	0.00	0.39	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.868	0.000
C2	0.751	-0.434	0.000
C3	-0.751	-0.434	0.000
H4	0.000	1.450	0.907
H5	1.256	-0.725	0.907
H6	-1.256	-0.725	0.907
H7	0.000	1.450	-0.907
H8	1.256	-0.725	-0.907
H9	-1.256	-0.725	-0.907

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5028	1.5028	1.0782	2.2220	2.2220	1.0782	2.2220	2.2220
C2	1.5028		1.5028	2.2220	1.0782	2.2220	2.2220	1.0782	2.2220
C3	1.5028	1.5028		2.2220	2.2220	1.0782	2.2220	2.2220	1.0782
H4	1.0782	2.2220	2.2220		2.5120	2.5120	1.8144	3.0987	3.0987
H5	2.2220	1.0782	2.2220	2.5120		2.5120	3.0987	1.8144	3.0987
H6	2.2220	2.2220	1.0782	2.5120	2.5120		3.0987	3.0987	1.8144
H7	1.0782	2.2220	2.2220	1.8144	3.0987	3.0987		2.5120	2.5120
H8	2.2220	1.0782	2.2220	3.0987	1.8144	3.0987	2.5120		2.5120
H9	2.2220	2.2220	1.0782	3.0987	3.0987	1.8144	2.5120	2.5120

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.904
C1	C2	H8	117.904	C1	C3	C2	60.000
C1	C3	H6	117.904	C1	C3	H9	117.904
C2	C1	C3	60.000	C2	C1	H4	117.904
C2	C1	H7	117.904	C2	C3	H6	117.904
C2	C3	H9	117.904	C3	C1	H4	117.904
C3	C1	H7	117.904	C3	C2	H5	117.904
C3	C2	H8	117.904	H4	C1	H7	114.581
H5	C2	H8	114.581	H6	C3	H9	114.581

All results from a given calculation for C₃H₆ (Cyclopropane)

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

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-pVTZ

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)