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	hartrees
Energy at 0K	-117.842780
Energy at 298.15K
HF Energy	-117.842780
Nuclear repulsion energy	75.114513

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'	3048	3041	0.00	273.91	0.04	0.07
2	A₁'	1487	1484	0.00	3.41	0.68	0.81
3	A₁'	1176	1173	0.00	28.73	0.08	0.14
4	A₁"	1124	1121	0.00	0.00	0.75	0.86
5	A₂'	1042	1039	0.00	0.00	0.75	0.86
6	A₂"	3135	3127	60.60	0.00	0.75	0.86
7	A₂"	846	844	0.45	0.00	0.75	0.86
8	E'	3041	3033	39.92	26.82	0.75	0.86
8	E'	3041	3033	39.92	26.82	0.75	0.86
9	E'	1448	1445	1.22	8.34	0.75	0.86
9	E'	1448	1445	1.22	8.34	0.75	0.86
10	E'	1014	1012	13.04	0.02	0.75	0.86
10	E'	1014	1012	13.04	0.02	0.75	0.86
11	E'	846	844	16.78	12.48	0.75	0.86
11	E'	846	844	16.78	12.48	0.75	0.86
12	E"	3111	3103	0.00	111.79	0.75	0.86
12	E"	3111	3103	0.00	111.79	0.75	0.86
13	E"	1188	1185	0.00	6.48	0.75	0.86
13	E"	1188	1185	0.00	6.48	0.75	0.86
14	E"	728	726	0.00	1.73	0.75	0.86
14	E"	728	726	0.00	1.72	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.878	0.000
C2	0.760	-0.439	0.000
C3	-0.760	-0.439	0.000
H4	0.000	1.472	0.915
H5	1.275	-0.736	0.915
H6	-1.275	-0.736	0.915
H7	0.000	1.472	-0.915
H8	1.275	-0.736	-0.915
H9	-1.275	-0.736	-0.915

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5200	1.5200	1.0910	2.2507	2.2507	1.0910	2.2507	2.2507
C2	1.5200		1.5200	2.2507	1.0910	2.2507	2.2507	1.0910	2.2507
C3	1.5200	1.5200		2.2507	2.2507	1.0910	2.2507	2.2507	1.0910
H4	1.0910	2.2507	2.2507		2.5496	2.5496	1.8296	3.1381	3.1381
H5	2.2507	1.0910	2.2507	2.5496		2.5496	3.1381	1.8296	3.1381
H6	2.2507	2.2507	1.0910	2.5496	2.5496		3.1381	3.1381	1.8296
H7	1.0910	2.2507	2.2507	1.8296	3.1381	3.1381		2.5496	2.5496
H8	2.2507	1.0910	2.2507	3.1381	1.8296	3.1381	2.5496		2.5496
H9	2.2507	2.2507	1.0910	3.1381	3.1381	1.8296	2.5496	2.5496

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.157
C1	C2	H8	118.157	C1	C3	C2	60.000
C1	C3	H6	118.157	C1	C3	H9	118.157
C2	C1	C3	60.000	C2	C1	H4	118.157
C2	C1	H7	118.157	C2	C3	H6	118.157
C2	C3	H9	118.157	C3	C1	H4	118.157
C3	C1	H7	118.157	C3	C2	H5	118.157
C3	C2	H8	118.157	H4	C1	H7	113.966
H5	C2	H8	113.966	H6	C3	H9	113.966

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: BLYP/6-311G*

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	-0.400
2	C	-0.400
3	C	-0.400
4	H	0.200
5	H	0.200
6	H	0.200
7	H	0.200
8	H	0.200
9	H	0.200

<r²>	44.529
(<r²>)^1/2	6.673

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: BLYP/6-311G*

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)