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	hartrees
Energy at 0K	-19.922870
Energy at 298.15K
HF Energy	-19.922870
Nuclear repulsion energy	43.158369

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'	3293	2975	0.00	273.46	0.04	0.08
2	A₁'	1656	1496	0.00	2.77	0.21	0.35
3	A₁'	1273	1150	0.00	43.96	0.08	0.14
4	A₁"	1255	1134	0.00	0.00	0.00	0.00
5	A₂'	1195	1079	0.00	0.00	0.00	0.00
6	A₂"	3384	3057	80.46	0.00	0.07	0.00
7	A₂"	903	816	0.00	0.00	0.00	0.00
8	E'	3277	2961	45.64	23.07	0.75	0.86
8	E'	3277	2961	45.64	23.07	0.75	0.86
9	E'	1592	1438	0.05	6.12	0.75	0.86
9	E'	1592	1438	0.05	6.12	0.75	0.86
10	E'	1163	1051	2.79	1.67	0.75	0.86
10	E'	1163	1051	2.79	1.67	0.75	0.86
11	E'	938	847	31.82	18.20	0.75	0.86
11	E'	938	847	31.82	18.20	0.75	0.86
12	E"	3361	3037	0.00	102.87	0.75	0.86
12	E"	3361	3037	0.00	102.87	0.75	0.86
13	E"	1311	1184	0.00	5.61	0.75	0.86
13	E"	1311	1184	0.00	5.61	0.75	0.86
14	E"	788	712	0.00	0.82	0.75	0.86
14	E"	788	712	0.00	0.82	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.872	0.000
C2	0.755	-0.436	0.000
C3	-0.755	-0.436	0.000
H4	0.000	1.456	0.906
H5	1.261	-0.728	0.906
H6	-1.261	-0.728	0.906
H7	0.000	1.456	-0.906
H8	1.261	-0.728	-0.906
H9	-1.261	-0.728	-0.906

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5098	1.5098	1.0779	2.2293	2.2293	1.0779	2.2293	2.2293
C2	1.5098		1.5098	2.2293	1.0779	2.2293	2.2293	1.0779	2.2293
C3	1.5098	1.5098		2.2293	2.2293	1.0779	2.2293	2.2293	1.0779
H4	1.0779	2.2293	2.2293		2.5222	2.5222	1.8113	3.1052	3.1052
H5	2.2293	1.0779	2.2293	2.5222		2.5222	3.1052	1.8113	3.1052
H6	2.2293	2.2293	1.0779	2.5222	2.5222		3.1052	3.1052	1.8113
H7	1.0779	2.2293	2.2293	1.8113	3.1052	3.1052		2.5222	2.5222
H8	2.2293	1.0779	2.2293	3.1052	1.8113	3.1052	2.5222		2.5222
H9	2.2293	2.2293	1.0779	3.1052	3.1052	1.8113	2.5222	2.5222

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.011
C1	C2	H8	118.011	C1	C3	C2	60.000
C1	C3	H6	118.011	C1	C3	H9	118.011
C2	C1	C3	60.000	C2	C1	H4	118.011
C2	C1	H7	118.011	C2	C3	H6	118.011
C2	C3	H9	118.011	C3	C1	H4	118.011
C3	C1	H7	118.011	C3	C2	H5	118.011
C3	C2	H8	118.011	H4	C1	H7	114.320
H5	C2	H8	114.320	H6	C3	H9	114.320

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: HF/CEP-121G*

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	-0.345
2	C	-0.345
3	C	-0.345
4	H	0.172
5	H	0.172
6	H	0.172
7	H	0.172
8	H	0.172
9	H	0.172

<r²>	39.215
(<r²>)^1/2	6.262

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: HF/CEP-121G*

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)