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	hartrees
Energy at 0K	-117.768565
Energy at 298.15K
HF Energy	-117.768565
Nuclear repulsion energy	75.823829

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'	3169	3026	0.00	279.61	0.03	0.06
2	A₁'	1532	1463	0.00	1.58	0.24	0.39
3	A₁'	1242	1186	0.00	40.93	0.08	0.15
4	A₁"	1152	1100	0.00	0.00	0.75	0.86
5	A₂'	1087	1038	0.00	0.00	0.75	0.86
6	A₂"	3263	3115	26.91	0.00	0.75	0.86
7	A₂"	863	824	1.07	0.00	0.75	0.86
8	E'	3161	3018	23.69	25.64	0.75	0.86
8	E'	3161	3018	23.69	25.64	0.75	0.86
9	E'	1473	1406	1.36	7.13	0.75	0.86
9	E'	1473	1406	1.36	7.13	0.75	0.86
10	E'	1059	1012	12.80	0.83	0.75	0.86
10	E'	1059	1012	12.80	0.83	0.75	0.86
11	E'	916	874	26.36	10.87	0.75	0.86
11	E'	916	874	26.36	10.87	0.75	0.86
12	E"	3243	3097	0.00	96.88	0.75	0.86
12	E"	3243	3097	0.00	96.89	0.75	0.86
13	E"	1213	1159	0.00	3.29	0.75	0.86
13	E"	1213	1159	0.00	3.29	0.75	0.86
14	E"	744	710	0.00	0.56	0.75	0.86
14	E"	744	710	0.00	0.56	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.867	0.000
C2	0.751	-0.434	0.000
C3	-0.751	-0.434	0.000
H4	0.000	1.457	0.912
H5	1.262	-0.729	0.912
H6	-1.262	-0.729	0.912
H7	0.000	1.457	-0.912
H8	1.262	-0.729	-0.912
H9	-1.262	-0.729	-0.912

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5023	1.5023	1.0858	2.2296	2.2296	1.0858	2.2296	2.2296
C2	1.5023		1.5024	2.2296	1.0858	2.2296	2.2296	1.0858	2.2296
C3	1.5023	1.5024		2.2296	2.2296	1.0858	2.2296	2.2296	1.0858
H4	1.0858	2.2296	2.2296		2.5241	2.5241	1.8231	3.1136	3.1136
H5	2.2296	1.0858	2.2296	2.5241		2.5241	3.1136	1.8231	3.1136
H6	2.2296	2.2296	1.0858	2.5241	2.5241		3.1136	3.1136	1.8231
H7	1.0858	2.2296	2.2296	1.8231	3.1136	3.1136		2.5241	2.5241
H8	2.2296	1.0858	2.2296	3.1136	1.8231	3.1136	2.5241		2.5241
H9	2.2296	2.2296	1.0858	3.1136	3.1136	1.8231	2.5241	2.5241

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.066
C1	C2	H8	118.066	C1	C3	C2	60.000
C1	C3	H6	118.066	C1	C3	H9	118.066
C2	C1	C3	60.000	C2	C1	H4	118.066
C2	C1	H7	118.066	C2	C3	H6	118.066
C2	C3	H9	118.066	C3	C1	H4	118.066
C3	C1	H7	118.066	C3	C2	H5	118.066
C3	C2	H8	118.066	H4	C1	H7	114.186
H5	C2	H8	114.186	H6	C3	H9	114.186

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: HSEh1PBE/6-31+G**

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>	43.748
(<r²>)^1/2	6.614

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)