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	hartrees
Energy at 0K	-117.097198
Energy at 298.15K
HF Energy	-117.097198
Nuclear repulsion energy	76.288234

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'	3280	2980	0.00	284.45	0.04	0.07
2	A₁'	1651	1500	0.00	2.34	0.21	0.34
3	A₁'	1280	1163	0.00	42.85	0.07	0.13
4	A₁"	1254	1140	0.00	0.00	0.00	0.00
5	A₂'	1212	1101	0.00	0.00	0.00	0.00
6	A₂"	3366	3058	49.94	0.00	0.04	0.07
7	A₂"	917	833	0.07	0.00	0.00	0.00
8	E'	3267	2969	32.57	22.73	0.75	0.86
8	E'	3267	2969	32.57	22.73	0.75	0.86
9	E'	1592	1447	0.79	5.30	0.75	0.86
9	E'	1592	1447	0.79	5.30	0.75	0.86
10	E'	1170	1063	5.12	1.03	0.75	0.86
10	E'	1170	1063	5.12	1.03	0.75	0.86
11	E'	940	854	29.46	14.58	0.75	0.86
11	E'	940	854	29.46	14.58	0.75	0.86
12	E"	3344	3038	0.00	97.42	0.75	0.86
12	E"	3344	3038	0.00	97.42	0.75	0.86
13	E"	1315	1195	0.00	3.46	0.75	0.86
13	E"	1315	1195	0.00	3.46	0.75	0.86
14	E"	802	728	0.00	0.73	0.75	0.86
14	E"	802	728	0.00	0.73	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.864	0.000
C2	0.748	-0.432	0.000
C3	-0.748	-0.432	0.000
H4	0.000	1.447	0.903
H5	1.253	-0.724	0.903
H6	-1.253	-0.724	0.903
H7	0.000	1.447	-0.903
H8	1.253	-0.724	-0.903
H9	-1.253	-0.724	-0.903

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4968	1.4968	1.0745	2.2149	2.2149	1.0745	2.2149	2.2149
C2	1.4968		1.4968	2.2149	1.0745	2.2149	2.2149	1.0745	2.2149
C3	1.4968	1.4968		2.2149	2.2149	1.0745	2.2149	2.2149	1.0745
H4	1.0745	2.2149	2.2149		2.5063	2.5063	1.8054	3.0889	3.0889
H5	2.2149	1.0745	2.2149	2.5063		2.5063	3.0889	1.8054	3.0889
H6	2.2149	2.2149	1.0745	2.5063	2.5063		3.0889	3.0889	1.8054
H7	1.0745	2.2149	2.2149	1.8054	3.0889	3.0889		2.5063	2.5063
H8	2.2149	1.0745	2.2149	3.0889	1.8054	3.0889	2.5063		2.5063
H9	2.2149	2.2149	1.0745	3.0889	3.0889	1.8054	2.5063	2.5063

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.020
C1	C2	H8	118.020	C1	C3	C2	60.000
C1	C3	H6	118.020	C1	C3	H9	118.020
C2	C1	C3	60.000	C2	C1	H4	118.020
C2	C1	H7	118.020	C2	C3	H6	118.020
C2	C3	H9	118.020	C3	C1	H4	118.020
C3	C1	H7	118.020	C3	C2	H5	118.020
C3	C2	H8	118.020	H4	C1	H7	114.299
H5	C2	H8	114.299	H6	C3	H9	114.299

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: HF/TZVP

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	-0.206
2	C	-0.206
3	C	-0.206
4	H	0.103
5	H	0.103
6	H	0.103
7	H	0.103
8	H	0.103
9	H	0.103

<r²>	43.395
(<r²>)^1/2	6.588

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: HF/TZVP

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)