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	hartrees
Energy at 0K	-116.517086
Energy at 298.15K
HF Energy	-116.517086
Nuclear repulsion energy	74.808175

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'	3413	3413	0.00	93.36	0.05	0.09
2	A₁'	1661	1661	0.00	15.38	0.74	0.85
3	A₁'	1317	1317	0.00	20.14	0.18	0.31
4	A₁"	1258	1258	0.00	0.00	0.75	0.86
5	A₂'	1198	1198	0.00	0.00	0.75	0.86
6	A₂"	3559	3559	0.00	0.00	0.75	0.86
7	A₂"	885	885	0.34	0.00	0.75	0.86
8	E'	3401	3401	1.72	9.23	0.75	0.86
8	E'	3401	3401	1.72	9.23	0.75	0.86
9	E'	1611	1611	0.03	8.92	0.75	0.86
9	E'	1611	1611	0.03	8.92	0.75	0.86
10	E'	1218	1218	1.36	0.01	0.75	0.86
10	E'	1218	1218	1.36	0.01	0.75	0.86
11	E'	1004	1004	6.24	10.86	0.75	0.86
11	E'	1004	1004	6.24	10.86	0.75	0.86
12	E"	3550	3550	0.00	42.71	0.75	0.86
12	E"	3550	3550	0.00	42.71	0.75	0.86
13	E"	1306	1306	0.00	12.63	0.75	0.86
13	E"	1306	1306	0.00	12.63	0.75	0.86
14	E"	802	802	0.00	2.19	0.75	0.86
14	E"	802	802	0.00	2.20	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.881	0.000
C2	0.763	-0.441	0.000
C3	-0.763	-0.441	0.000
H4	0.000	1.476	0.921
H5	1.278	-0.738	0.921
H6	-1.278	-0.738	0.921
H7	0.000	1.476	-0.921
H8	1.278	-0.738	-0.921
H9	-1.278	-0.738	-0.921

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5262	1.5262	1.0960	2.2588	2.2588	1.0960	2.2588	2.2588
C2	1.5262		1.5262	2.2588	1.0960	2.2588	2.2588	1.0960	2.2588
C3	1.5262	1.5262		2.2588	2.2588	1.0960	2.2588	2.2588	1.0960
H4	1.0960	2.2588	2.2588		2.5561	2.5561	1.8414	3.1503	3.1503
H5	2.2588	1.0960	2.2588	2.5561		2.5561	3.1503	1.8414	3.1503
H6	2.2588	2.2588	1.0960	2.5561	2.5561		3.1503	3.1503	1.8414
H7	1.0960	2.2588	2.2588	1.8414	3.1503	3.1503		2.5561	2.5561
H8	2.2588	1.0960	2.2588	3.1503	1.8414	3.1503	2.5561		2.5561
H9	2.2588	2.2588	1.0960	3.1503	3.1503	1.8414	2.5561	2.5561

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.025
C1	C2	H8	118.025	C1	C3	C2	60.000
C1	C3	H6	118.025	C1	C3	H9	118.025
C2	C1	C3	60.000	C2	C1	H4	118.025
C2	C1	H7	118.025	C2	C3	H6	118.025
C2	C3	H9	118.025	C3	C1	H4	118.025
C3	C1	H7	118.025	C3	C2	H5	118.025
C3	C2	H8	118.025	H4	C1	H7	114.285
H5	C2	H8	114.285	H6	C3	H9	114.285

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: TPSSh/STO-3G

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	-0.153
2	C	-0.153
3	C	-0.153
4	H	0.077
5	H	0.077
6	H	0.077
7	H	0.077
8	H	0.077
9	H	0.077

<r²>	43.804
(<r²>)^1/2	6.618

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: TPSSh/STO-3G

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)