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	hartrees
Energy at 0K	-117.877495
Energy at 298.15K
HF Energy	-117.877495
Nuclear repulsion energy	75.296215

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'	3171	3051	0.00	256.49	0.04	0.07
2	A₁'	1553	1494	0.00	7.08	0.67	0.81
3	A₁'	1226	1179	0.00	30.28	0.08	0.14
4	A₁"	1172	1128	0.00	0.00	0.75	0.86
5	A₂'	1143	1100	0.00	0.00	0.75	0.86
6	A₂"	3265	3141	50.31	0.00	0.75	0.86
7	A₂"	874	841	0.90	0.00	0.75	0.86
8	E'	3159	3039	29.56	21.27	0.75	0.86
8	E'	3159	3039	29.56	21.27	0.75	0.86
9	E'	1525	1467	1.40	10.26	0.75	0.86
9	E'	1525	1467	1.40	10.26	0.75	0.86
10	E'	1100	1059	17.37	0.03	0.75	0.86
10	E'	1100	1059	17.37	0.03	0.75	0.86
11	E'	896	862	19.83	16.99	0.75	0.86
11	E'	896	862	19.83	16.99	0.75	0.86
12	E"	3240	3117	0.00	100.29	0.75	0.86
12	E"	3240	3117	0.00	100.28	0.75	0.86
13	E"	1242	1194	0.00	12.29	0.75	0.86
13	E"	1242	1194	0.00	12.29	0.75	0.86
14	E"	767	738	0.00	3.31	0.75	0.86
14	E"	767	738	0.00	3.31	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.877	0.000
C2	0.759	-0.438	0.000
C3	-0.759	-0.438	0.000
H4	0.000	1.469	0.909
H5	1.272	-0.734	0.909
H6	-1.272	-0.734	0.909
H7	0.000	1.469	-0.909
H8	1.272	-0.734	-0.909
H9	-1.272	-0.734	-0.909

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5190	1.5190	1.0847	2.2451	2.2451	1.0847	2.2451	2.2451
C2	1.5190		1.5190	2.2451	1.0847	2.2451	2.2451	1.0847	2.2451
C3	1.5190	1.5190		2.2451	2.2451	1.0847	2.2451	2.2451	1.0847
H4	1.0847	2.2451	2.2451		2.5437	2.5437	1.8182	3.1267	3.1267
H5	2.2451	1.0847	2.2451	2.5437		2.5437	3.1267	1.8182	3.1267
H6	2.2451	2.2451	1.0847	2.5437	2.5437		3.1267	3.1267	1.8182
H7	1.0847	2.2451	2.2451	1.8182	3.1267	3.1267		2.5437	2.5437
H8	2.2451	1.0847	2.2451	3.1267	1.8182	3.1267	2.5437		2.5437
H9	2.2451	2.2451	1.0847	3.1267	3.1267	1.8182	2.5437	2.5437

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.190
C1	C2	H8	118.190	C1	C3	C2	60.000
C1	C3	H6	118.190	C1	C3	H9	118.190
C2	C1	C3	60.000	C2	C1	H4	118.190
C2	C1	H7	118.190	C2	C3	H6	118.190
C2	C3	H9	118.190	C3	C1	H4	118.190
C3	C1	H7	118.190	C3	C2	H5	118.190
C3	C2	H8	118.190	H4	C1	H7	113.886
H5	C2	H8	113.886	H6	C3	H9	113.886

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: TPSSh/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	-0.325
2	C	-0.325
3	C	-0.325
4	H	0.162
5	H	0.162
6	H	0.162
7	H	0.162
8	H	0.162
9	H	0.162

<r²>	44.003
(<r²>)^1/2	6.634

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: TPSSh/6-31G

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)