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	hartrees
Energy at 0K	-116.676644
Energy at 298.15K
HF Energy	-116.400286
Nuclear repulsion energy	75.031285

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'	3214	3047	0.00	183.08	0.05	0.10
2	A₁'	1585	1502	0.00	9.23	0.70	0.82
3	A₁'	1153	1093	0.00	22.50	0.07	0.12
4	A₁"	1216	1153	0.00	0.00	0.75	0.86
5	A₂'	1171	1110	0.00	0.00	0.75	0.86
6	A₂"	3312	3139	20.74	0.00	0.00	0.00
7	A₂"	888	842	0.67	0.00	0.00	0.00
8	E'	3205	3038	13.96	13.50	0.75	0.86
8	E'	3205	3038	13.96	13.50	0.75	0.86
9	E'	1564	1483	2.05	8.64	0.75	0.86
9	E'	1564	1483	2.05	8.64	0.75	0.86
10	E'	1148	1088	19.58	0.19	0.75	0.86
10	E'	1148	1088	19.58	0.19	0.75	0.86
11	E'	857	812	14.78	15.98	0.75	0.86
11	E'	857	812	14.78	15.98	0.75	0.86
12	E"	3289	3118	0.00	73.81	0.75	0.86
12	E"	3289	3118	0.00	73.81	0.75	0.86
13	E"	1259	1193	0.00	13.33	0.75	0.86
13	E"	1259	1193	0.00	13.33	0.75	0.86
14	E"	794	752	0.00	3.54	0.75	0.86
14	E"	794	752	0.00	3.54	0.75	0.86

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	1.465	0.913
H5	1.269	-0.733	0.913
H6	-1.269	-0.733	0.913
H7	0.000	1.465	-0.913
H8	1.269	-0.733	-0.913
H9	-1.269	-0.733	-0.913

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5300	1.5300	1.0827	2.2485	2.2485	1.0827	2.2485	2.2485
C2	1.5300		1.5300	2.2485	1.0827	2.2485	2.2485	1.0827	2.2485
C3	1.5300	1.5300		2.2485	2.2485	1.0827	2.2485	2.2485	1.0827
H4	1.0827	2.2485	2.2485		2.5383	2.5383	1.8256	3.1266	3.1266
H5	2.2485	1.0827	2.2485	2.5383		2.5383	3.1266	1.8256	3.1266
H6	2.2485	2.2485	1.0827	2.5383	2.5383		3.1266	3.1266	1.8256
H7	1.0827	2.2485	2.2485	1.8256	3.1266	3.1266		2.5383	2.5383
H8	2.2485	1.0827	2.2485	3.1266	1.8256	3.1266	2.5383		2.5383
H9	2.2485	2.2485	1.0827	3.1266	3.1266	1.8256	2.5383	2.5383

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.753
C1	C2	H8	117.753	C1	C3	C2	60.000
C1	C3	H6	117.753	C1	C3	H9	117.753
C2	C1	C3	60.000	C2	C1	H4	117.753
C2	C1	H7	117.753	C2	C3	H6	117.753
C2	C3	H9	117.753	C3	C1	H4	117.753
C3	C1	H7	117.753	C3	C2	H5	117.753
C3	C2	H8	117.753	H4	C1	H7	114.945
H5	C2	H8	114.945	H6	C3	H9	114.945

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: MP2=FULL/3-21G*

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=FULL/3-21G*

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)