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	hartrees
Energy at 0K	-117.321861
Energy at 298.15K	-117.328222
HF Energy	-117.013978
Nuclear repulsion energy	73.811373

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁'	3102	2958
2	A₁'	1518	1448
3	A₁'	1167	1113
4	A₁"	1166	1112
5	A₂'	1131	1079
6	A₂"	3203	3055
7	A₂"	872	831
8	E'	3086	2943
8	E'	3086	2943
9	E'	1486	1417
9	E'	1486	1417
10	E'	1123	1071
10	E'	1123	1071
11	E'	833	795
11	E'	833	795
12	E"	3182	3034
12	E"	3182	3034
13	E"	1221	1164
13	E"	1221	1164
14	E"	780	744
14	E"	779	743

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.899	0.000
C2	0.778	-0.449	0.000
C3	-0.778	-0.449	0.000
H4	0.000	1.493	0.923
H5	1.293	-0.746	0.923
H6	-1.293	-0.746	0.923
H7	0.000	1.493	-0.923
H8	1.293	-0.746	-0.923
H9	-1.293	-0.746	-0.923

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5569	1.5569	1.0978	2.2870	2.2870	1.0978	2.2870	2.2870
C2	1.5569		1.5569	2.2870	1.0978	2.2870	2.2870	1.0978	2.2870
C3	1.5569	1.5569		2.2870	2.2870	1.0978	2.2870	2.2870	1.0978
H4	1.0978	2.2870	2.2870		2.5853	2.5853	1.8468	3.1771	3.1771
H5	2.2870	1.0978	2.2870	2.5853		2.5853	3.1771	1.8468	3.1771
H6	2.2870	2.2870	1.0978	2.5853	2.5853		3.1771	3.1771	1.8468
H7	1.0978	2.2870	2.2870	1.8468	3.1771	3.1771		2.5853	2.5853
H8	2.2870	1.0978	2.2870	3.1771	1.8468	3.1771	2.5853		2.5853
H9	2.2870	2.2870	1.0978	3.1771	3.1771	1.8468	2.5853	2.5853

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.930
C1	C2	H8	117.930	C1	C3	C2	60.000
C1	C3	H6	117.930	C1	C3	H9	117.930
C2	C1	C3	60.000	C2	C1	H4	117.930
C2	C1	H7	117.930	C2	C3	H6	117.930
C2	C3	H9	117.930	C3	C1	H4	117.930
C3	C1	H7	117.930	C3	C2	H5	117.930
C3	C2	H8	117.930	H4	C1	H7	114.518
H5	C2	H8	114.518	H6	C3	H9	114.518

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: QCISD(T)/SDD

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(T)/SDD

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)