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	hartrees
Energy at 0K	-117.018164
Energy at 298.15K
HF Energy	-117.018164
Nuclear repulsion energy	75.580313

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'	3341	3006	0.00	288.49	0.03	0.06
2	A₁'	1661	1494	0.00	7.61	0.22	0.36
3	A₁'	1288	1159	0.00	51.35	0.07	0.13
4	A₁"	1260	1134	0.00	0.00	0.00	0.00
5	A₂'	1267	1140	0.00	0.00	0.00	0.00
6	A₂"	3439	3095	78.67	0.00	0.00	0.00
7	A₂"	930	837	2.30	0.00	0.00	0.00
8	E'	3321	2988	41.92	20.42	0.75	0.86
8	E'	3321	2988	41.92	20.42	0.75	0.86
9	E'	1618	1456	4.28	4.57	0.75	0.86
9	E'	1618	1456	4.28	4.57	0.75	0.86
10	E'	1204	1084	9.50	2.60	0.75	0.86
10	E'	1204	1084	9.50	2.60	0.75	0.86
11	E'	931	838	38.77	25.54	0.75	0.86
11	E'	931	838	38.77	25.54	0.75	0.86
12	E"	3417	3075	0.00	83.65	0.75	0.86
12	E"	3417	3075	0.00	83.65	0.75	0.86
13	E"	1328	1195	0.00	8.24	0.75	0.86
13	E"	1328	1195	0.00	8.24	0.75	0.86
14	E"	832	749	0.00	1.54	0.75	0.86
14	E"	832	749	0.00	1.54	0.75	0.86

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	1.463	0.899
H5	1.267	-0.731	0.899
H6	-1.267	-0.731	0.899
H7	0.000	1.463	-0.899
H8	1.267	-0.731	-0.899
H9	-1.267	-0.731	-0.899

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5189	1.5189	1.0730	2.2360	2.2360	1.0730	2.2360	2.2360
C2	1.5189		1.5189	2.2360	1.0730	2.2360	2.2360	1.0730	2.2360
C3	1.5189	1.5189		2.2360	2.2360	1.0730	2.2360	2.2360	1.0730
H4	1.0730	2.2360	2.2360		2.5338	2.5338	1.7976	3.1067	3.1067
H5	2.2360	1.0730	2.2360	2.5338		2.5338	3.1067	1.7976	3.1067
H6	2.2360	2.2360	1.0730	2.5338	2.5338		3.1067	3.1067	1.7976
H7	1.0730	2.2360	2.2360	1.7976	3.1067	3.1067		2.5338	2.5338
H8	2.2360	1.0730	2.2360	3.1067	1.7976	3.1067	2.5338		2.5338
H9	2.2360	2.2360	1.0730	3.1067	3.1067	1.7976	2.5338	2.5338

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.226
C1	C2	H8	118.226	C1	C3	C2	60.000
C1	C3	H6	118.226	C1	C3	H9	118.226
C2	C1	C3	60.000	C2	C1	H4	118.226
C2	C1	H7	118.226	C2	C3	H6	118.226
C2	C3	H9	118.226	C3	C1	H4	118.226
C3	C1	H7	118.226	C3	C2	H5	118.226
C3	C2	H8	118.226	H4	C1	H7	113.798
H5	C2	H8	113.798	H6	C3	H9	113.798

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: HF/LANL2DZ

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	-0.385
2	C	-0.385
3	C	-0.385
4	H	0.192
5	H	0.192
6	H	0.192
7	H	0.192
8	H	0.192
9	H	0.192

<r²>	44.111
(<r²>)^1/2	6.642

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: HF/LANL2DZ

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)