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	hartrees
Energy at 0K	-117.638016
Energy at 298.15K	-117.644416
HF Energy	-117.098667
Nuclear repulsion energy	75.905567

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3176	2996	0.00
2	A₁'	1551	1463	0.00
3	A₁'	1235	1165	0.00
4	A₁"	1177	1110	0.00
5	A₂'	1115	1052	0.00
6	A₂"	3270	3084	24.92
7	A₂"	865	816	0.23
8	E'	3166	2985	18.22
8	E'	3166	2985	18.22
9	E'	1497	1412	0.80
9	E'	1497	1412	0.80
10	E'	1081	1019	7.18
10	E'	1081	1019	7.18
11	E'	911	859	20.38
11	E'	911	859	20.38
12	E"	3250	3065	0.00
12	E"	3250	3065	0.00
13	E"	1231	1161	0.00
13	E"	1231	1161	0.00
14	E"	752	709	0.00
14	E"	752	709	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.868	0.000
C2	0.752	-0.434	0.000
C3	-0.752	-0.434	0.000
H4	0.000	1.452	0.909
H5	1.258	-0.726	0.909
H6	-1.258	-0.726	0.909
H7	0.000	1.452	-0.909
H8	1.258	-0.726	-0.909
H9	-1.258	-0.726	-0.909

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5043	1.5043	1.0805	2.2251	2.2251	1.0805	2.2251	2.2251
C2	1.5043		1.5043	2.2251	1.0805	2.2251	2.2251	1.0805	2.2251
C3	1.5043	1.5043		2.2251	2.2251	1.0805	2.2251	2.2251	1.0805
H4	1.0805	2.2251	2.2251		2.5153	2.5153	1.8185	3.1038	3.1038
H5	2.2251	1.0805	2.2251	2.5153		2.5153	3.1038	1.8185	3.1038
H6	2.2251	2.2251	1.0805	2.5153	2.5153		3.1038	3.1038	1.8185
H7	1.0805	2.2251	2.2251	1.8185	3.1038	3.1038		2.5153	2.5153
H8	2.2251	1.0805	2.2251	3.1038	1.8185	3.1038	2.5153		2.5153
H9	2.2251	2.2251	1.0805	3.1038	3.1038	1.8185	2.5153	2.5153

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.896
C1	C2	H8	117.896	C1	C3	C2	60.000
C1	C3	H6	117.896	C1	C3	H9	117.896
C2	C1	C3	60.000	C2	C1	H4	117.896
C2	C1	H7	117.896	C2	C3	H6	117.896
C2	C3	H9	117.896	C3	C1	H4	117.896
C3	C1	H7	117.896	C3	C2	H5	117.896
C3	C2	H8	117.896	H4	C1	H7	114.598
H5	C2	H8	114.598	H6	C3	H9	114.598

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: CCD/6-311+G(3df,2p)

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: CCD/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)