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	hartrees
Energy at 0K	-117.018698
Energy at 298.15K
HF Energy	-117.018698
Nuclear repulsion energy	75.582135

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'	3340	3007	0.00	288.94	0.03	0.06
2	A₁'	1660	1495	0.00	7.50	0.22	0.36
3	A₁'	1288	1159	0.00	51.19	0.07	0.13
4	A₁"	1260	1134	0.00	0.00	0.00	0.00
5	A₂'	1266	1140	0.00	0.00	0.00	0.00
6	A₂"	3438	3096	76.97	0.00	0.00	0.00
7	A₂"	930	838	2.30	0.00	0.00	0.00
8	E'	3320	2989	40.90	20.44	0.75	0.86
8	E'	3320	2989	40.90	20.44	0.75	0.86
9	E'	1618	1456	4.30	4.58	0.75	0.86
9	E'	1618	1456	4.30	4.58	0.75	0.86
10	E'	1204	1084	9.54	2.53	0.75	0.86
10	E'	1204	1084	9.54	2.53	0.75	0.86
11	E'	931	838	38.87	25.28	0.75	0.86
11	E'	931	838	38.87	25.28	0.75	0.86
12	E"	3416	3076	0.00	83.51	0.75	0.86
12	E"	3416	3076	0.00	83.51	0.75	0.86
13	E"	1328	1196	0.00	8.19	0.75	0.86
13	E"	1328	1196	0.00	8.19	0.75	0.86
14	E"	832	749	0.00	1.51	0.75	0.86
14	E"	832	749	0.00	1.51	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	1.0729	2.2359	2.2359	1.0729	2.2359	2.2359
C2	1.5189		1.5189	2.2359	1.0729	2.2359	2.2359	1.0729	2.2359
C3	1.5189	1.5189		2.2359	2.2359	1.0729	2.2359	2.2359	1.0729
H4	1.0729	2.2359	2.2359		2.5335	2.5335	1.7978	3.1065	3.1065
H5	2.2359	1.0729	2.2359	2.5335		2.5335	3.1065	1.7978	3.1065
H6	2.2359	2.2359	1.0729	2.5335	2.5335		3.1065	3.1065	1.7978
H7	1.0729	2.2359	2.2359	1.7978	3.1065	3.1065		2.5335	2.5335
H8	2.2359	1.0729	2.2359	3.1065	1.7978	3.1065	2.5335		2.5335
H9	2.2359	2.2359	1.0729	3.1065	3.1065	1.7978	2.5335	2.5335

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.217
C1	C2	H8	118.217	C1	C3	C2	60.000
C1	C3	H6	118.217	C1	C3	H9	118.217
C2	C1	C3	60.000	C2	C1	H4	118.217
C2	C1	H7	118.217	C2	C3	H6	118.217
C2	C3	H9	118.217	C3	C1	H4	118.217
C3	C1	H7	118.217	C3	C2	H5	118.217
C3	C2	H8	118.217	H4	C1	H7	113.819
H5	C2	H8	113.819	H6	C3	H9	113.819

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: HF/SDD

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	-0.390
2	C	-0.390
3	C	-0.390
4	H	0.195
5	H	0.195
6	H	0.195
7	H	0.195
8	H	0.195
9	H	0.195

<r²>	44.103
(<r²>)^1/2	6.641

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: HF/SDD

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)