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	hartrees
Energy at 0K	-117.530240
Energy at 298.15K	-117.536610
HF Energy	-117.066177
Nuclear repulsion energy	75.127905

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3174	3007	0.00
2	A₁'	1535	1454	0.00
3	A₁'	1231	1166	0.00
4	A₁"	1159	1098	0.00
5	A₂'	1090	1033	0.00
6	A₂"	3268	3096	29.13
7	A₂"	856	810	0.15
8	E'	3161	2994	20.14
8	E'	3161	2994	20.14
9	E'	1469	1391	0.47
9	E'	1469	1391	0.47
10	E'	1074	1018	4.93
10	E'	1074	1018	4.93
11	E'	908	860	18.46
11	E'	908	860	18.46
12	E"	3249	3078	0.00
12	E"	3249	3078	0.00
13	E"	1215	1151	0.00
13	E"	1215	1151	0.00
14	E"	739	700	0.00
14	E"	739	700	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.876	0.000
C2	0.759	-0.438	0.000
C3	-0.759	-0.438	0.000
H4	0.000	1.468	0.922
H5	1.271	-0.734	0.922
H6	-1.271	-0.734	0.922
H7	0.000	1.468	-0.922
H8	1.271	-0.734	-0.922
H9	-1.271	-0.734	-0.922

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5171	1.5171	1.0953	2.2487	2.2487	1.0953	2.2487	2.2487
C2	1.5171		1.5171	2.2487	1.0953	2.2487	2.2487	1.0953	2.2487
C3	1.5171	1.5171		2.2487	2.2487	1.0953	2.2487	2.2487	1.0953
H4	1.0953	2.2487	2.2487		2.5424	2.5424	1.8431	3.1402	3.1402
H5	2.2487	1.0953	2.2487	2.5424		2.5424	3.1402	1.8431	3.1402
H6	2.2487	2.2487	1.0953	2.5424	2.5424		3.1402	3.1402	1.8431
H7	1.0953	2.2487	2.2487	1.8431	3.1402	3.1402		2.5424	2.5424
H8	2.2487	1.0953	2.2487	3.1402	1.8431	3.1402	2.5424		2.5424
H9	2.2487	2.2487	1.0953	3.1402	3.1402	1.8431	2.5424	2.5424

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.907
C1	C2	H8	117.907	C1	C3	C2	60.000
C1	C3	H6	117.907	C1	C3	H9	117.907
C2	C1	C3	60.000	C2	C1	H4	117.907
C2	C1	H7	117.907	C2	C3	H6	117.907
C2	C3	H9	117.907	C3	C1	H4	117.907
C3	C1	H7	117.907	C3	C2	H5	117.907
C3	C2	H8	117.907	H4	C1	H7	114.573
H5	C2	H8	114.573	H6	C3	H9	114.573

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: CCSD/cc-pVDZ

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: CCSD/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)