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	hartrees
Energy at 0K	-117.655695
Energy at 298.15K	-117.662075
HF Energy	-117.101811
Nuclear repulsion energy	75.844698

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3170	3051	0.00
2	A₁'	1545	1487	0.00
3	A₁'	1226	1180	0.00
4	A₁"	1166	1122	0.00
5	A₂'	1099	1057	0.00
6	A₂"	3259	3137	26.67
7	A₂"	857	825	0.26
8	E'	3158	3039	19.44
8	E'	3158	3039	19.44
9	E'	1490	1434	0.60
9	E'	1490	1434	0.60
10	E'	1067	1027	7.04
10	E'	1067	1027	7.04
11	E'	902	868	20.12
11	E'	902	868	20.12
12	E"	3239	3117	0.00
12	E"	3239	3117	0.00
13	E"	1223	1177	0.00
13	E"	1223	1177	0.00
14	E"	743	715	0.00
14	E"	743	715	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.870	0.000
C2	0.753	-0.435	0.000
C3	-0.753	-0.435	0.000
H4	0.000	1.452	0.910
H5	1.257	-0.726	0.910
H6	-1.257	-0.726	0.910
H7	0.000	1.452	-0.910
H8	1.257	-0.726	-0.910
H9	-1.257	-0.726	-0.910

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5064	1.5064	1.0804	2.2262	2.2262	1.0804	2.2262	2.2262
C2	1.5064		1.5064	2.2262	1.0804	2.2262	2.2262	1.0804	2.2262
C3	1.5064	1.5064		2.2262	2.2262	1.0804	2.2262	2.2262	1.0804
H4	1.0804	2.2262	2.2262		2.5150	2.5150	1.8201	3.1045	3.1045
H5	2.2262	1.0804	2.2262	2.5150		2.5150	3.1045	1.8201	3.1045
H6	2.2262	2.2262	1.0804	2.5150	2.5150		3.1045	3.1045	1.8201
H7	1.0804	2.2262	2.2262	1.8201	3.1045	3.1045		2.5150	2.5150
H8	2.2262	1.0804	2.2262	3.1045	1.8201	3.1045	2.5150		2.5150
H9	2.2262	2.2262	1.0804	3.1045	3.1045	1.8201	2.5150	2.5150

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.825
C1	C2	H8	117.825	C1	C3	C2	60.000
C1	C3	H6	117.825	C1	C3	H9	117.825
C2	C1	C3	60.000	C2	C1	H4	117.825
C2	C1	H7	117.825	C2	C3	H6	117.825
C2	C3	H9	117.825	C3	C1	H4	117.825
C3	C1	H7	117.825	C3	C2	H5	117.825
C3	C2	H8	117.825	H4	C1	H7	114.771
H5	C2	H8	114.771	H6	C3	H9	114.771

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: QCISD/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: QCISD/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)