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	hartrees
Energy at 0K	-117.897879
Energy at 298.15K
HF Energy	-117.897879
Nuclear repulsion energy	75.374054

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'	3129	3035	0.00	285.94	0.04	0.07
2	A₁'	1498	1453	0.00	3.99	0.74	0.85
3	A₁'	1218	1181	0.00	32.49	0.10	0.18
4	A₁"	1137	1103	0.00	0.00	0.75	0.86
5	A₂'	1070	1038	0.00	0.00	0.75	0.86
6	A₂"	3224	3127	31.84	0.00	0.75	0.86
7	A₂"	853	827	0.71	0.00	0.75	0.86
8	E'	3120	3027	24.21	23.43	0.75	0.86
8	E'	3120	3027	24.21	23.42	0.75	0.86
9	E'	1440	1397	0.64	8.87	0.75	0.86
9	E'	1440	1397	0.64	8.87	0.75	0.86
10	E'	1044	1013	6.08	0.13	0.75	0.86
10	E'	1044	1013	6.08	0.13	0.75	0.86
11	E'	888	861	17.17	14.01	0.75	0.86
11	E'	888	861	17.16	14.01	0.75	0.86
12	E"	3203	3107	0.00	111.15	0.75	0.86
12	E"	3203	3107	0.00	111.15	0.75	0.86
13	E"	1196	1160	0.00	8.79	0.75	0.86
13	E"	1196	1160	0.00	8.79	0.75	0.86
14	E"	729	707	0.00	2.22	0.75	0.86
14	E"	729	707	0.00	2.22	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.872	0.000
C2	0.755	-0.436	0.000
C3	-0.755	-0.436	0.000
H4	0.000	1.466	0.918
H5	1.269	-0.733	0.918
H6	-1.269	-0.733	0.918
H7	0.000	1.466	-0.918
H8	1.269	-0.733	-0.918
H9	-1.269	-0.733	-0.918

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5110	1.5110	1.0928	2.2428	2.2428	1.0928	2.2428	2.2428
C2	1.5110		1.5110	2.2428	1.0928	2.2428	2.2428	1.0928	2.2428
C3	1.5110	1.5110		2.2428	2.2428	1.0928	2.2428	2.2428	1.0928
H4	1.0928	2.2428	2.2428		2.5386	2.5386	1.8355	3.1327	3.1327
H5	2.2428	1.0928	2.2428	2.5386		2.5386	3.1327	1.8355	3.1327
H6	2.2428	2.2428	1.0928	2.5386	2.5386		3.1327	3.1327	1.8355
H7	1.0928	2.2428	2.2428	1.8355	3.1327	3.1327		2.5386	2.5386
H8	2.2428	1.0928	2.2428	3.1327	1.8355	3.1327	2.5386		2.5386
H9	2.2428	2.2428	1.0928	3.1327	3.1327	1.8355	2.5386	2.5386

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.045
C1	C2	H8	118.045	C1	C3	C2	60.000
C1	C3	H6	118.045	C1	C3	H9	118.045
C2	C1	C3	60.000	C2	C1	H4	118.045
C2	C1	H7	118.045	C2	C3	H6	118.045
C2	C3	H9	118.045	C3	C1	H4	118.045
C3	C1	H7	118.045	C3	C2	H5	118.045
C3	C2	H8	118.045	H4	C1	H7	114.238
H5	C2	H8	114.238	H6	C3	H9	114.238

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: B3LYP/cc-pVDZ

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	-0.044
2	C	-0.044
3	C	-0.044
4	H	0.022
5	H	0.022
6	H	0.022
7	H	0.022
8	H	0.022
9	H	0.022

<r²>	44.085
(<r²>)^1/2	6.640

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: B3LYP/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)