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	hartrees
Energy at 0K	-117.008042
Energy at 298.15K
HF Energy	-117.008042
Nuclear repulsion energy	76.017484

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'	3327	3004	0.00	248.14	0.05	0.09
2	A₁'	1673	1510	0.00	4.93	0.71	0.83
3	A₁'	1296	1170	0.00	39.16	0.08	0.15
4	A₁"	1272	1149	0.00	0.00	0.00	0.00
5	A₂'	1286	1162	0.00	0.00	0.00	0.00
6	A₂"	3413	3082	50.33	0.00	0.00	0.00
7	A₂"	939	848	0.18	0.00	0.00	0.00
8	E'	3310	2989	28.30	19.18	0.75	0.86
8	E'	3310	2989	28.30	19.18	0.75	0.86
9	E'	1633	1475	2.20	8.49	0.75	0.86
9	E'	1633	1475	2.20	8.49	0.75	0.86
10	E'	1223	1104	10.41	0.34	0.75	0.86
10	E'	1223	1104	10.41	0.34	0.75	0.86
11	E'	950	857	32.29	23.36	0.75	0.86
11	E'	950	857	32.29	23.36	0.75	0.86
12	E"	3390	3060	0.00	99.77	0.75	0.86
12	E"	3390	3060	0.00	99.77	0.75	0.86
13	E"	1344	1213	0.00	11.55	0.75	0.86
13	E"	1344	1213	0.00	11.55	0.75	0.86
14	E"	845	763	0.00	3.70	0.75	0.86
14	E"	845	763	0.00	3.70	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.869	0.000
C2	0.753	-0.435	0.000
C3	-0.753	-0.435	0.000
H4	0.000	1.456	0.898
H5	1.261	-0.728	0.898
H6	-1.261	-0.728	0.898
H7	0.000	1.456	-0.898
H8	1.261	-0.728	-0.898
H9	-1.261	-0.728	-0.898

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5054	1.5054	1.0729	2.2244	2.2244	1.0729	2.2244	2.2244
C2	1.5054		1.5054	2.2244	1.0729	2.2244	2.2244	1.0729	2.2244
C3	1.5054	1.5054		2.2244	2.2244	1.0729	2.2244	2.2244	1.0729
H4	1.0729	2.2244	2.2244		2.5223	2.5223	1.7960	3.0964	3.0964
H5	2.2244	1.0729	2.2244	2.5223		2.5223	3.0964	1.7960	3.0964
H6	2.2244	2.2244	1.0729	2.5223	2.5223		3.0964	3.0964	1.7960
H7	1.0729	2.2244	2.2244	1.7960	3.0964	3.0964		2.5223	2.5223
H8	2.2244	1.0729	2.2244	3.0964	1.7960	3.0964	2.5223		2.5223
H9	2.2244	2.2244	1.0729	3.0964	3.0964	1.7960	2.5223	2.5223

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.289
C1	C2	H8	118.289	C1	C3	C2	60.000
C1	C3	H6	118.289	C1	C3	H9	118.289
C2	C1	C3	60.000	C2	C1	H4	118.289
C2	C1	H7	118.289	C2	C3	H6	118.289
C2	C3	H9	118.289	C3	C1	H4	118.289
C3	C1	H7	118.289	C3	C2	H5	118.289
C3	C2	H8	118.289	H4	C1	H7	113.645
H5	C2	H8	113.645	H6	C3	H9	113.645

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: HF/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	-0.347
2	C	-0.347
3	C	-0.347
4	H	0.173
5	H	0.173
6	H	0.173
7	H	0.173
8	H	0.173
9	H	0.173

<r²>	43.666
(<r²>)^1/2	6.608

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: HF/6-31G

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)