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	hartrees
Energy at 0K	-20.135361
Energy at 298.15K
HF Energy	-19.865600
Nuclear repulsion energy	42.238563

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁'	3108	3034	0.00	264.24	0.04	0.08
2	A₁'	1525	1489	0.00	2.81	0.70	0.82
3	A₁'	1186	1157	0.00	42.22	0.06	0.11
4	A₁"	1196	1168	0.00	0.00	0.45	0.62
5	A₂'	1135	1107	0.00	0.00	0.00	0.00
6	A₂"	3222	3145	58.65	0.00	0.75	0.86
7	A₂"	862	841	0.22	0.00	0.75	0.86
8	E'	3090	3016	28.91	20.59	0.75	0.86
8	E'	3090	3016	28.91	20.59	0.75	0.86
9	E'	1496	1460	0.93	7.21	0.75	0.86
9	E'	1496	1460	0.93	7.21	0.75	0.86
10	E'	1136	1109	15.84	0.29	0.75	0.86
10	E'	1136	1109	15.84	0.29	0.75	0.86
11	E'	853	832	26.94	19.02	0.75	0.86
11	E'	853	832	26.94	19.02	0.75	0.86
12	E"	3198	3121	0.00	87.29	0.75	0.86
12	E"	3198	3121	0.00	87.29	0.75	0.86
13	E"	1233	1204	0.00	7.13	0.75	0.86
13	E"	1233	1204	0.00	7.13	0.75	0.86
14	E"	781	762	0.00	0.89	0.75	0.86
14	E"	781	762	0.00	0.89	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.897	0.000
C2	0.777	-0.449	0.000
C3	-0.777	-0.449	0.000
H4	0.000	1.484	0.921
H5	1.285	-0.742	0.921
H6	-1.285	-0.742	0.921
H7	0.000	1.484	-0.921
H8	1.285	-0.742	-0.921
H9	-1.285	-0.742	-0.921

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5540	1.5540	1.0915	2.2770	2.2770	1.0915	2.2770	2.2770
C2	1.5540		1.5540	2.2770	1.0915	2.2770	2.2770	1.0915	2.2770
C3	1.5540	1.5540		2.2770	2.2770	1.0915	2.2770	2.2770	1.0915
H4	1.0915	2.2770	2.2770		2.5696	2.5696	1.8413	3.1612	3.1612
H5	2.2770	1.0915	2.2770	2.5696		2.5696	3.1612	1.8413	3.1612
H6	2.2770	2.2770	1.0915	2.5696	2.5696		3.1612	3.1612	1.8413
H7	1.0915	2.2770	2.2770	1.8413	3.1612	3.1612		2.5696	2.5696
H8	2.2770	1.0915	2.2770	3.1612	1.8413	3.1612	2.5696		2.5696
H9	2.2770	2.2770	1.0915	3.1612	3.1612	1.8413	2.5696	2.5696

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.726
C1	C2	H8	117.726	C1	C3	C2	60.000
C1	C3	H6	117.726	C1	C3	H9	117.726
C2	C1	C3	60.000	C2	C1	H4	117.726
C2	C1	H7	117.726	C2	C3	H6	117.726
C2	C3	H9	117.726	C3	C1	H4	117.726
C3	C1	H7	117.726	C3	C2	H5	117.726
C3	C2	H8	117.726	H4	C1	H7	115.012
H5	C2	H8	115.012	H6	C3	H9	115.012

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: MP2/CEP-121G

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: MP2/CEP-121G

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)