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	hartrees
Energy at 0K	-117.828391
Energy at 298.15K
HF Energy	-117.828391
Nuclear repulsion energy	74.842004

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'	3060	3054	0.00	354.13	0.02	0.04
2	A₁'	1463	1460	0.00	1.26	0.33	0.50
3	A₁'	1171	1169	0.00	46.10	0.06	0.11
4	A₁"	1104	1101	0.00	0.00	0.75	0.86
5	A₂'	1016	1014	0.00	0.00	0.75	0.86
6	A₂"	3152	3146	38.88	0.00	0.75	0.86
7	A₂"	833	831	0.46	0.00	0.75	0.86
8	E'	3053	3047	28.65	28.87	0.75	0.86
8	E'	3053	3047	28.65	28.88	0.75	0.86
9	E'	1423	1420	0.59	5.35	0.75	0.86
9	E'	1423	1420	0.59	5.35	0.75	0.86
10	E'	996	994	9.60	0.75	0.75	0.86
10	E'	996	994	9.60	0.75	0.75	0.86
11	E'	838	836	15.92	9.00	0.75	0.86
11	E'	838	836	15.92	9.00	0.75	0.86
12	E"	3131	3125	0.00	108.92	0.75	0.86
12	E"	3131	3125	0.00	108.95	0.75	0.86
13	E"	1162	1160	0.00	1.06	0.75	0.86
13	E"	1162	1160	0.00	1.06	0.75	0.86
14	E"	712	711	0.00	0.45	0.75	0.86
14	E"	712	711	0.00	0.45	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.880	0.000
C2	0.763	-0.440	0.000
C3	-0.763	-0.440	0.000
H4	0.000	1.475	0.921
H5	1.278	-0.738	0.921
H6	-1.278	-0.738	0.921
H7	0.000	1.475	-0.921
H8	1.278	-0.738	-0.921
H9	-1.278	-0.738	-0.921

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5250	1.5250	1.0962	2.2579	2.2579	1.0962	2.2579	2.2579
C2	1.5250		1.5250	2.2579	1.0962	2.2579	2.2579	1.0962	2.2579
C3	1.5250	1.5250		2.2579	2.2579	1.0962	2.2579	2.2579	1.0962
H4	1.0962	2.2579	2.2579		2.5552	2.5552	1.8415	3.1497	3.1497
H5	2.2579	1.0962	2.2579	2.5552		2.5552	3.1497	1.8415	3.1497
H6	2.2579	2.2579	1.0962	2.5552	2.5552		3.1497	3.1497	1.8415
H7	1.0962	2.2579	2.2579	1.8415	3.1497	3.1497		2.5552	2.5552
H8	2.2579	1.0962	2.2579	3.1497	1.8415	3.1497	2.5552		2.5552
H9	2.2579	2.2579	1.0962	3.1497	3.1497	1.8415	2.5552	2.5552

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.030
C1	C2	H8	118.030	C1	C3	C2	60.000
C1	C3	H6	118.030	C1	C3	H9	118.030
C2	C1	C3	60.000	C2	C1	H4	118.030
C2	C1	H7	118.030	C2	C3	H6	118.030
C2	C3	H9	118.030	C3	C1	H4	118.030
C3	C1	H7	118.030	C3	C2	H5	118.030
C3	C2	H8	118.030	H4	C1	H7	114.274
H5	C2	H8	114.274	H6	C3	H9	114.274

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: BLYP/aug-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	1.375
2	C	1.375
3	C	1.375
4	H	-0.688
5	H	-0.688
6	H	-0.688
7	H	-0.688
8	H	-0.688
9	H	-0.688

<r²>	44.913
(<r²>)^1/2	6.702

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)