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	hartrees
Energy at 0K	-117.548066
Energy at 298.15K	-117.554501
HF Energy	-117.068916
Nuclear repulsion energy	75.922295

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3228	3228	0.00
2	A₁'	1594	1594	0.00
3	A₁'	1257	1257	0.00
4	A₁"	1203	1203	0.00
5	A₂'	1134	1134	0.00
6	A₂"	3319	3319	37.62
7	A₂"	881	881	0.04
8	E'	3216	3216	23.92
8	E'	3216	3216	23.92
9	E'	1535	1535	0.10
9	E'	1535	1535	0.10
10	E'	1124	1124	5.99
10	E'	1124	1124	5.99
11	E'	927	927	17.40
11	E'	927	927	17.40
12	E"	3301	3301	0.00
12	E"	3301	3301	0.00
13	E"	1258	1258	0.00
13	E"	1258	1258	0.00
14	E"	768	768	0.00
14	E"	768	768	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	1.455	0.907
H5	1.260	-0.727	0.907
H6	-1.260	-0.727	0.907
H7	0.000	1.455	-0.907
H8	1.260	-0.727	-0.907
H9	-1.260	-0.727	-0.907

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5035	1.5035	1.0802	2.2259	2.2259	1.0802	2.2259	2.2259
C2	1.5035		1.5035	2.2259	1.0802	2.2259	2.2259	1.0802	2.2259
C3	1.5035	1.5035		2.2259	2.2259	1.0802	2.2259	2.2259	1.0802
H4	1.0802	2.2259	2.2259		2.5194	2.5194	1.8143	3.1046	3.1046
H5	2.2259	1.0802	2.2259	2.5194		2.5194	3.1046	1.8143	3.1046
H6	2.2259	2.2259	1.0802	2.5194	2.5194		3.1046	3.1046	1.8143
H7	1.0802	2.2259	2.2259	1.8143	3.1046	3.1046		2.5194	2.5194
H8	2.2259	1.0802	2.2259	3.1046	1.8143	3.1046	2.5194		2.5194
H9	2.2259	2.2259	1.0802	3.1046	3.1046	1.8143	2.5194	2.5194

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.048
C1	C2	H8	118.048	C1	C3	C2	60.000
C1	C3	H6	118.048	C1	C3	H9	118.048
C2	C1	C3	60.000	C2	C1	H4	118.048
C2	C1	H7	118.048	C2	C3	H6	118.048
C2	C3	H9	118.048	C3	C1	H4	118.048
C3	C1	H7	118.048	C3	C2	H5	118.048
C3	C2	H8	118.048	H4	C1	H7	114.230
H5	C2	H8	114.230	H6	C3	H9	114.230

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: CCSD=FULL/6-31G**

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=FULL/6-31G**

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)