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	hartrees
Energy at 0K	-117.538955
Energy at 298.15K	-117.545382
HF Energy	-117.070879
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3215	3039	0.00
2	A₁'	1581	1494	0.00
3	A₁'	1245	1177	0.00
4	A₁"	1195	1130	0.00
5	A₂'	1128	1066	0.00
6	A₂"	3306	3126	35.88
7	A₂"	880	832	0.10
8	E'	3203	3028	24.07
8	E'	3203	3028	24.07
9	E'	1523	1440	0.12
9	E'	1523	1440	0.12
10	E'	1118	1057	8.68
10	E'	1118	1057	8.68
11	E'	913	863	24.08
11	E'	913	863	24.08
12	E"	3287	3108	0.00
12	E"	3287	3108	0.00
13	E"	1250	1182	0.00
13	E"	1250	1182	0.00
14	E"	771	729	0.00
14	E"	771	729	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.871	0.000
C2	0.754	-0.435	0.000
C3	-0.754	-0.435	0.000
H4	0.000	1.456	0.910
H5	1.261	-0.728	0.910
H6	-1.261	-0.728	0.910
H7	0.000	1.456	-0.910
H8	1.261	-0.728	-0.910
H9	-1.261	-0.728	-0.910

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5080	1.5080	1.0819	2.2304	2.2304	1.0819	2.2304	2.2304
C2	1.5080		1.5080	2.2304	1.0819	2.2304	2.2304	1.0819	2.2304
C3	1.5080	1.5080		2.2304	2.2304	1.0819	2.2304	2.2304	1.0819
H4	1.0819	2.2304	2.2304		2.5225	2.5225	1.8194	3.1102	3.1102
H5	2.2304	1.0819	2.2304	2.5225		2.5225	3.1102	1.8194	3.1102
H6	2.2304	2.2304	1.0819	2.5225	2.5225		3.1102	3.1102	1.8194
H7	1.0819	2.2304	2.2304	1.8194	3.1102	3.1102		2.5225	2.5225
H8	2.2304	1.0819	2.2304	3.1102	1.8194	3.1102	2.5225		2.5225
H9	2.2304	2.2304	1.0819	3.1102	3.1102	1.8194	2.5225	2.5225

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.957
C1	C2	H8	117.957	C1	C3	C2	60.000
C1	C3	H6	117.957	C1	C3	H9	117.957
C2	C1	C3	60.000	C2	C1	H4	117.957
C2	C1	H7	117.957	C2	C3	H6	117.957
C2	C3	H9	117.957	C3	C1	H4	117.957
C3	C1	H7	117.957	C3	C2	H5	117.957
C3	C2	H8	117.957	H4	C1	H7	114.450
H5	C2	H8	114.450	H6	C3	H9	114.450

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: QCISD/6-31+G**

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/6-31+G**

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)