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	hartrees
Energy at 0K	-117.318320
Energy at 298.15K	-117.324751
HF Energy	-117.005695
Nuclear repulsion energy	74.777111

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3145	3145	0.00
2	A₁'	1563	1563	0.00
3	A₁'	1208	1208	0.00
4	A₁"	1193	1193	0.00
5	A₂'	1170	1170	0.00
6	A₂"	3230	3230	45.64
7	A₂"	883	883	0.38
8	E'	3131	3131	22.41
8	E'	3131	3131	22.41
9	E'	1534	1534	1.29
9	E'	1534	1534	1.29
10	E'	1150	1150	12.68
10	E'	1150	1150	12.68
11	E'	880	880	19.43
11	E'	880	880	19.43
12	E"	3208	3208	0.00
12	E"	3208	3208	0.00
13	E"	1251	1251	0.00
13	E"	1251	1251	0.00
14	E"	789	789	0.00
14	E"	789	789	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.883	0.000
C2	0.765	-0.442	0.000
C3	-0.765	-0.442	0.000
H4	0.000	1.480	0.913
H5	1.282	-0.740	0.913
H6	-1.282	-0.740	0.913
H7	0.000	1.480	-0.913
H8	1.282	-0.740	-0.913
H9	-1.282	-0.740	-0.913

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5300	1.5300	1.0911	2.2614	2.2614	1.0911	2.2614	2.2614
C2	1.5300		1.5301	2.2614	1.0911	2.2614	2.2614	1.0911	2.2614
C3	1.5300	1.5301		2.2614	2.2614	1.0911	2.2614	2.2614	1.0911
H4	1.0911	2.2614	2.2614		2.5643	2.5643	1.8264	3.1482	3.1482
H5	2.2614	1.0911	2.2614	2.5643		2.5643	3.1482	1.8264	3.1482
H6	2.2614	2.2614	1.0911	2.5643	2.5643		3.1482	3.1482	1.8264
H7	1.0911	2.2614	2.2614	1.8264	3.1482	3.1482		2.5643	2.5643
H8	2.2614	1.0911	2.2614	3.1482	1.8264	3.1482	2.5643		2.5643
H9	2.2614	2.2614	1.0911	3.1482	3.1482	1.8264	2.5643	2.5643

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.291
C1	C2	H8	118.291	C1	C3	C2	60.000
C1	C3	H6	118.291	C1	C3	H9	118.291
C2	C1	C3	60.000	C2	C1	H4	118.291
C2	C1	H7	118.291	C2	C3	H6	118.291
C2	C3	H9	118.291	C3	C1	H4	118.291
C3	C1	H7	118.291	C3	C2	H5	118.291
C3	C2	H8	118.291	H4	C1	H7	113.641
H5	C2	H8	113.641	H6	C3	H9	113.641

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)