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	hartrees
Energy at 0K	-117.863875
Energy at 298.15K	-117.870277
HF Energy	-117.863875
Nuclear repulsion energy	75.286951

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3166	3046	0.00
2	A₁'	1550	1491	0.00
3	A₁'	1225	1178	0.00
4	A₁"	1167	1122	0.00
5	A₂'	1148	1104	0.00
6	A₂"	3256	3132	45.49
7	A₂"	882	848	0.95
8	E'	3155	3035	25.50
8	E'	3155	3035	25.50
9	E'	1521	1463	2.06
9	E'	1521	1463	2.06
10	E'	1101	1059	16.11
10	E'	1101	1059	16.11
11	E'	884	850	19.83
11	E'	884	850	19.83
12	E"	3233	3110	0.00
12	E"	3233	3110	0.00
13	E"	1239	1192	0.00
13	E"	1239	1192	0.00
14	E"	772	742	0.00
14	E"	772	742	0.00

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	1.471	0.908
H5	1.274	-0.735	0.908
H6	-1.274	-0.735	0.908
H7	0.000	1.471	-0.908
H8	1.274	-0.735	-0.908
H9	-1.274	-0.735	-0.908

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5185	1.5185	1.0853	2.2464	2.2464	1.0853	2.2464	2.2464
C2	1.5185		1.5185	2.2464	1.0853	2.2464	2.2464	1.0853	2.2464
C3	1.5185	1.5185		2.2464	2.2464	1.0853	2.2464	2.2464	1.0853
H4	1.0853	2.2464	2.2464		2.5476	2.5476	1.8164	3.1288	3.1288
H5	2.2464	1.0853	2.2464	2.5476		2.5476	3.1288	1.8164	3.1288
H6	2.2464	2.2464	1.0853	2.5476	2.5476		3.1288	3.1288	1.8164
H7	1.0853	2.2464	2.2464	1.8164	3.1288	3.1288		2.5476	2.5476
H8	2.2464	1.0853	2.2464	3.1288	1.8164	3.1288	2.5476		2.5476
H9	2.2464	2.2464	1.0853	3.1288	3.1288	1.8164	2.5476	2.5476

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.302
C1	C2	H8	118.302	C1	C3	C2	60.000
C1	C3	H6	118.302	C1	C3	H9	118.302
C2	C1	C3	60.000	C2	C1	H4	118.302
C2	C1	H7	118.302	C2	C3	H6	118.302
C2	C3	H9	118.302	C3	C1	H4	118.302
C3	C1	H7	118.302	C3	C2	H5	118.302
C3	C2	H8	118.302	H4	C1	H7	113.613
H5	C2	H8	113.613	H6	C3	H9	113.613

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: B3LYPultrafine/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	-0.284
2	C	-0.284
3	C	-0.284
4	H	0.142
5	H	0.142
6	H	0.142
7	H	0.142
8	H	0.142
9	H	0.142

<r²>	44.082
(<r²>)^1/2	6.639

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: B3LYPultrafine/6-31G

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)