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	hartrees
Energy at 0K	-117.939484
Energy at 298.15K
HF Energy	-117.939484
Nuclear repulsion energy	75.698102

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'	3132	3132	0.00	279.96	0.03	0.07
2	A₁'	1526	1526	0.00	2.77	0.75	0.86
3	A₁'	1219	1219	0.00	32.13	0.08	0.14
4	A₁"	1157	1157	0.00	0.00	0.75	0.86
5	A₂'	1078	1078	0.00	0.00	0.75	0.86
6	A₂"	3223	3223	45.43	0.00	0.75	0.86
7	A₂"	851	851	0.42	0.00	0.75	0.86
8	E'	3123	3123	32.15	24.55	0.75	0.86
8	E'	3123	3123	32.16	24.55	0.75	0.86
9	E'	1479	1479	1.01	7.36	0.75	0.86
9	E'	1479	1479	1.01	7.36	0.75	0.86
10	E'	1051	1051	10.67	0.24	0.75	0.86
10	E'	1051	1051	10.67	0.24	0.75	0.86
11	E'	898	898	19.30	12.27	0.75	0.86
11	E'	898	898	19.30	12.27	0.75	0.86
12	E"	3200	3200	0.00	105.92	0.75	0.86
12	E"	3200	3200	0.00	105.93	0.75	0.86
13	E"	1213	1213	0.00	5.44	0.75	0.86
13	E"	1213	1213	0.00	5.44	0.75	0.86
14	E"	733	733	0.00	1.31	0.75	0.86
14	E"	733	733	0.00	1.31	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.870	0.000
C2	0.754	-0.435	0.000
C3	-0.754	-0.435	0.000
H4	0.000	1.458	0.911
H5	1.263	-0.729	0.911
H6	-1.263	-0.729	0.911
H7	0.000	1.458	-0.911
H8	1.263	-0.729	-0.911
H9	-1.263	-0.729	-0.911

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5077	1.5077	1.0840	2.2321	2.2321	1.0840	2.2321	2.2321
C2	1.5077		1.5077	2.2321	1.0840	2.2321	2.2321	1.0840	2.2321
C3	1.5077	1.5077		2.2321	2.2321	1.0840	2.2321	2.2321	1.0840
H4	1.0840	2.2321	2.2321		2.5253	2.5253	1.8219	3.1139	3.1139
H5	2.2321	1.0840	2.2321	2.5253		2.5253	3.1139	1.8219	3.1139
H6	2.2321	2.2321	1.0840	2.5253	2.5253		3.1139	3.1139	1.8219
H7	1.0840	2.2321	2.2321	1.8219	3.1139	3.1139		2.5253	2.5253
H8	2.2321	1.0840	2.2321	3.1139	1.8219	3.1139	2.5253		2.5253
H9	2.2321	2.2321	1.0840	3.1139	3.1139	1.8219	2.5253	2.5253

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.994
C1	C2	H8	117.994	C1	C3	C2	60.000
C1	C3	H6	117.994	C1	C3	H9	117.994
C2	C1	C3	60.000	C2	C1	H4	117.994
C2	C1	H7	117.994	C2	C3	H6	117.994
C2	C3	H9	117.994	C3	C1	H4	117.994
C3	C1	H7	117.994	C3	C2	H5	117.994
C3	C2	H8	117.994	H4	C1	H7	114.361
H5	C2	H8	114.361	H6	C3	H9	114.361

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: TPSSh/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	-0.254
2	C	-0.254
3	C	-0.254
4	H	0.127
5	H	0.127
6	H	0.127
7	H	0.127
8	H	0.127
9	H	0.127

<r²>	43.759
(<r²>)^1/2	6.615

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: TPSSh/6-311G**

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)