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	hartrees
Energy at 0K	-116.714756
Energy at 298.15K	-116.721117
HF Energy	-116.399142
Nuclear repulsion energy	74.606134

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁'	3145	3145
2	A₁'	1553	1553
3	A₁'	1116	1116
4	A₁"	1186	1186
5	A₂'	1145	1145
6	A₂"	3236	3236
7	A₂"	863	863
8	E'	3134	3134
8	E'	3134	3134
9	E'	1530	1530
9	E'	1530	1530
10	E'	1122	1122
10	E'	1122	1122
11	E'	827	827
11	E'	827	827
12	E"	3214	3214
12	E"	3214	3214
13	E"	1233	1233
13	E"	1233	1233
14	E"	775	775
14	E"	775	775

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.889	0.000
C2	0.770	-0.444	0.000
C3	-0.770	-0.444	0.000
H4	0.000	1.473	0.917
H5	1.276	-0.737	0.917
H6	-1.276	-0.737	0.917
H7	0.000	1.473	-0.917
H8	1.276	-0.737	-0.917
H9	-1.276	-0.737	-0.917

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5397	1.5397	1.0877	2.2611	2.2611	1.0877	2.2611	2.2611
C2	1.5397		1.5397	2.2611	1.0877	2.2611	2.2611	1.0877	2.2611
C3	1.5397	1.5397		2.2611	2.2611	1.0877	2.2611	2.2611	1.0877
H4	1.0877	2.2611	2.2611		2.5521	2.5521	1.8345	3.1431	3.1431
H5	2.2611	1.0877	2.2611	2.5521		2.5521	3.1431	1.8345	3.1431
H6	2.2611	2.2611	1.0877	2.5521	2.5521		3.1431	3.1431	1.8345
H7	1.0877	2.2611	2.2611	1.8345	3.1431	3.1431		2.5521	2.5521
H8	2.2611	1.0877	2.2611	3.1431	1.8345	3.1431	2.5521		2.5521
H9	2.2611	2.2611	1.0877	3.1431	3.1431	1.8345	2.5521	2.5521

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.736
C1	C2	H8	117.736	C1	C3	C2	60.000
C1	C3	H6	117.736	C1	C3	H9	117.736
C2	C1	C3	60.000	C2	C1	H4	117.736
C2	C1	H7	117.736	C2	C3	H6	117.736
C2	C3	H9	117.736	C3	C1	H4	117.736
C3	C1	H7	117.736	C3	C2	H5	117.736
C3	C2	H8	117.736	H4	C1	H7	114.986
H5	C2	H8	114.986	H6	C3	H9	114.986

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: QCISD(TQ)/3-21G*

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(TQ)/3-21G*

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)