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	hartrees
Energy at 0K	-117.940767
Energy at 298.15K	-117.947117
HF Energy	-117.940767
Nuclear repulsion energy	75.887594

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3133	3021	0.00
2	A₁'	1521	1467	0.00
3	A₁'	1211	1168	0.00
4	A₁"	1154	1113	0.00
5	A₂'	1096	1057	0.00
6	A₂"	3221	3106	30.65
7	A₂"	862	832	0.54
8	E'	3126	3014	23.91
8	E'	3126	3014	23.91
9	E'	1479	1426	0.94
9	E'	1479	1426	0.94
10	E'	1054	1016	9.55
10	E'	1054	1016	9.55
11	E'	879	848	18.92
11	E'	879	848	18.91
12	E"	3200	3085	0.00
12	E"	3200	3085	0.00
13	E"	1214	1170	0.00
13	E"	1214	1170	0.00
14	E"	743	717	0.00
14	E"	743	717	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.868	0.000
C2	0.752	-0.434	0.000
C3	-0.752	-0.434	0.000
H4	0.000	1.456	0.907
H5	1.261	-0.728	0.907
H6	-1.261	-0.728	0.907
H7	0.000	1.456	-0.907
H8	1.261	-0.728	-0.907
H9	-1.261	-0.728	-0.907

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5041	1.5041	1.0807	2.2271	2.2271	1.0807	2.2271	2.2271
C2	1.5041		1.5041	2.2271	1.0807	2.2271	2.2271	1.0807	2.2271
C3	1.5041	1.5041		2.2271	2.2271	1.0807	2.2271	2.2271	1.0807
H4	1.0807	2.2271	2.2271		2.5212	2.5212	1.8145	3.1063	3.1063
H5	2.2271	1.0807	2.2271	2.5212		2.5212	3.1063	1.8145	3.1063
H6	2.2271	2.2271	1.0807	2.5212	2.5212		3.1063	3.1063	1.8145
H7	1.0807	2.2271	2.2271	1.8145	3.1063	3.1063		2.5212	2.5212
H8	2.2271	1.0807	2.2271	3.1063	1.8145	3.1063	2.5212		2.5212
H9	2.2271	2.2271	1.0807	3.1063	3.1063	1.8145	2.5212	2.5212

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.070
C1	C2	H8	118.070	C1	C3	C2	60.000
C1	C3	H6	118.070	C1	C3	H9	118.070
C2	C1	C3	60.000	C2	C1	H4	118.070
C2	C1	H7	118.070	C2	C3	H6	118.070
C2	C3	H9	118.070	C3	C1	H4	118.070
C3	C1	H7	118.070	C3	C2	H5	118.070
C3	C2	H8	118.070	H4	C1	H7	114.177
H5	C2	H8	114.177	H6	C3	H9	114.177

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: B3LYP/6-311+G(3df,2pd)

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	-0.120
2	C	-0.120
3	C	-0.120
4	H	0.060
5	H	0.060
6	H	0.060
7	H	0.060
8	H	0.060
9	H	0.060

<r²>	43.813
(<r²>)^1/2	6.619

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: B3LYP/6-311+G(3df,2pd)

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)