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	hartrees
Energy at 0K	-117.074816
Energy at 298.15K
HF Energy	-117.074816
Nuclear repulsion energy	76.244606

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'	3287	2976	0.00	236.21	0.05	0.09
2	A₁'	1654	1497	0.00	3.35	0.58	0.74
3	A₁'	1289	1167	0.00	36.04	0.09	0.16
4	A₁"	1258	1139	0.00	0.00	0.00	0.00
5	A₂'	1212	1097	0.00	0.00	0.00	0.00
6	A₂"	3373	3054	48.65	0.00	0.00	0.00
7	A₂"	912	826	0.10	0.00	0.00	0.00
8	E'	3272	2963	35.11	19.60	0.75	0.86
8	E'	3272	2963	35.11	19.60	0.75	0.86
9	E'	1594	1443	0.12	7.26	0.75	0.86
9	E'	1594	1443	0.12	7.26	0.75	0.86
10	E'	1180	1068	3.27	0.25	0.75	0.86
10	E'	1180	1068	3.27	0.25	0.75	0.86
11	E'	954	863	21.63	15.31	0.75	0.86
11	E'	954	863	21.63	15.31	0.75	0.86
12	E"	3350	3033	0.00	93.96	0.75	0.86
12	E"	3350	3033	0.00	93.96	0.75	0.86
13	E"	1315	1191	0.00	7.78	0.75	0.86
13	E"	1315	1191	0.00	7.78	0.75	0.86
14	E"	792	717	0.00	2.26	0.75	0.86
14	E"	792	717	0.00	2.26	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.864	0.000
C2	0.749	-0.432	0.000
C3	-0.749	-0.432	0.000
H4	0.000	1.449	0.902
H5	1.255	-0.725	0.902
H6	-1.255	-0.725	0.902
H7	0.000	1.449	-0.902
H8	1.255	-0.725	-0.902
H9	-1.255	-0.725	-0.902

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4972	1.4972	1.0754	2.2170	2.2170	1.0754	2.2170	2.2170
C2	1.4972		1.4972	2.2170	1.0754	2.2170	2.2170	1.0754	2.2170
C3	1.4972	1.4972		2.2170	2.2170	1.0754	2.2170	2.2170	1.0754
H4	1.0754	2.2170	2.2170		2.5105	2.5105	1.8047	3.0918	3.0918
H5	2.2170	1.0754	2.2170	2.5105		2.5105	3.0918	1.8047	3.0918
H6	2.2170	2.2170	1.0754	2.5105	2.5105		3.0918	3.0918	1.8047
H7	1.0754	2.2170	2.2170	1.8047	3.0918	3.0918		2.5105	2.5105
H8	2.2170	1.0754	2.2170	3.0918	1.8047	3.0918	2.5105		2.5105
H9	2.2170	2.2170	1.0754	3.0918	3.0918	1.8047	2.5105	2.5105

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.108
C1	C2	H8	118.108	C1	C3	C2	60.000
C1	C3	H6	118.108	C1	C3	H9	118.108
C2	C1	C3	60.000	C2	C1	H4	118.108
C2	C1	H7	118.108	C2	C3	H6	118.108
C2	C3	H9	118.108	C3	C1	H4	118.108
C3	C1	H7	118.108	C3	C2	H5	118.108
C3	C2	H8	118.108	H4	C1	H7	114.084
H5	C2	H8	114.084	H6	C3	H9	114.084

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: HF/6-31G(2df,p)

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	-0.283
2	C	-0.283
3	C	-0.283
4	H	0.142
5	H	0.142
6	H	0.142
7	H	0.142
8	H	0.142
9	H	0.142

<r²>	43.274
(<r²>)^1/2	6.578

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: HF/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)