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	hartrees
Energy at 0K	-117.794865
Energy at 298.15K
HF Energy	-117.794865
Nuclear repulsion energy	75.687781

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'	3200	3052	0.00	239.37	0.04	0.07
2	A₁'	1557	1485	0.00	6.40	0.73	0.84
3	A₁'	1254	1196	0.00	30.03	0.08	0.15
4	A₁"	1172	1118	0.00	0.00	0.75	0.86
5	A₂'	1158	1104	0.00	0.00	0.75	0.86
6	A₂"	3295	3142	36.18	0.00	0.75	0.86
7	A₂"	881	840	1.31	0.00	0.75	0.86
8	E'	3188	3041	21.46	19.14	0.75	0.86
8	E'	3188	3041	21.46	19.14	0.75	0.86
9	E'	1521	1451	3.46	9.53	0.75	0.86
9	E'	1521	1451	3.46	9.53	0.75	0.86
10	E'	1111	1059	18.11	0.00	0.75	0.86
10	E'	1111	1059	18.11	0.00	0.75	0.86
11	E'	919	877	22.42	16.83	0.75	0.86
11	E'	919	877	22.42	16.83	0.75	0.86
12	E"	3272	3120	0.00	92.40	0.75	0.86
12	E"	3272	3120	0.00	92.40	0.75	0.86
13	E"	1242	1184	0.00	12.07	0.75	0.86
13	E"	1242	1184	0.00	12.07	0.75	0.86
14	E"	776	740	0.00	3.29	0.75	0.86
14	E"	776	740	0.00	3.29	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.871	0.000
C2	0.754	-0.435	0.000
C3	-0.754	-0.435	0.000
H4	0.000	1.463	0.906
H5	1.267	-0.731	0.906
H6	-1.267	-0.731	0.906
H7	0.000	1.463	-0.906
H8	1.267	-0.731	-0.906
H9	-1.267	-0.731	-0.906

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5084	1.5084	1.0823	2.2346	2.2346	1.0823	2.2346	2.2346
C2	1.5084		1.5084	2.2346	1.0823	2.2346	2.2346	1.0823	2.2346
C3	1.5084	1.5084		2.2346	2.2346	1.0823	2.2346	2.2346	1.0823
H4	1.0823	2.2346	2.2346		2.5339	2.5339	1.8121	3.1151	3.1151
H5	2.2346	1.0823	2.2346	2.5339		2.5339	3.1151	1.8121	3.1151
H6	2.2346	2.2346	1.0823	2.5339	2.5339		3.1151	3.1151	1.8121
H7	1.0823	2.2346	2.2346	1.8121	3.1151	3.1151		2.5339	2.5339
H8	2.2346	1.0823	2.2346	3.1151	1.8121	3.1151	2.5339		2.5339
H9	2.2346	2.2346	1.0823	3.1151	3.1151	1.8121	2.5339	2.5339

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.276
C1	C2	H8	118.276	C1	C3	C2	60.000
C1	C3	H6	118.276	C1	C3	H9	118.276
C2	C1	C3	60.000	C2	C1	H4	118.276
C2	C1	H7	118.276	C2	C3	H6	118.276
C2	C3	H9	118.276	C3	C1	H4	118.276
C3	C1	H7	118.276	C3	C2	H5	118.276
C3	C2	H8	118.276	H4	C1	H7	113.677
H5	C2	H8	113.677	H6	C3	H9	113.677

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: B1B95/6-31G

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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Number	Element	Mulliken
1	C	-0.334
2	C	-0.334
3	C	-0.334
4	H	0.167
5	H	0.167
6	H	0.167
7	H	0.167
8	H	0.167
9	H	0.167

<r²>	43.643
(<r²>)^1/2	6.606

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: B1B95/6-31G

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)