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	hartrees
Energy at 0K	-117.582583
Energy at 298.15K	-117.589034
HF Energy	-117.099876
Nuclear repulsion energy	76.321644

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3241	3241	0.00
2	A₁'	1593	1593	0.00
3	A₁'	1265	1265	0.00
4	A₁"	1207	1207	0.00
5	A₂'	1150	1150	0.00
6	A₂"	3334	3334	25.11
7	A₂"	888	888	0.25
8	E'	3229	3229	18.22
8	E'	3229	3229	18.22
9	E'	1534	1534	0.90
9	E'	1534	1534	0.90
10	E'	1113	1113	6.42
10	E'	1113	1113	6.42
11	E'	936	936	22.40
11	E'	936	936	22.40
12	E"	3314	3314	0.00
12	E"	3314	3314	0.00
13	E"	1263	1263	0.00
13	E"	1263	1263	0.00
14	E"	771	771	0.00
14	E"	771	771	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.864	0.000
C2	0.748	-0.432	0.000
C3	-0.748	-0.432	0.000
H4	0.000	1.445	0.904
H5	1.251	-0.722	0.904
H6	-1.251	-0.722	0.904
H7	0.000	1.445	-0.904
H8	1.251	-0.722	-0.904
H9	-1.251	-0.722	-0.904

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4962	1.4962	1.0743	2.2131	2.2131	1.0743	2.2131	2.2131
C2	1.4962		1.4962	2.2131	1.0743	2.2131	2.2131	1.0743	2.2131
C3	1.4962	1.4962		2.2131	2.2131	1.0743	2.2131	2.2131	1.0743
H4	1.0743	2.2131	2.2131		2.5022	2.5022	1.8075	3.0867	3.0867
H5	2.2131	1.0743	2.2131	2.5022		2.5022	3.0867	1.8075	3.0867
H6	2.2131	2.2131	1.0743	2.5022	2.5022		3.0867	3.0867	1.8075
H7	1.0743	2.2131	2.2131	1.8075	3.0867	3.0867		2.5022	2.5022
H8	2.2131	1.0743	2.2131	3.0867	1.8075	3.0867	2.5022		2.5022
H9	2.2131	2.2131	1.0743	3.0867	3.0867	1.8075	2.5022	2.5022

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.917
C1	C2	H8	117.917	C1	C3	C2	60.000
C1	C3	H6	117.917	C1	C3	H9	117.917
C2	C1	C3	60.000	C2	C1	H4	117.917
C2	C1	H7	117.917	C2	C3	H6	117.917
C2	C3	H9	117.917	C3	C1	H4	117.917
C3	C1	H7	117.917	C3	C2	H5	117.917
C3	C2	H8	117.917	H4	C1	H7	114.549
H5	C2	H8	114.549	H6	C3	H9	114.549

All results from a given calculation for C₃H₆ (Cyclopropane)

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

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: CID/6-311+G(3df,2pd)

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)