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	hartrees
Energy at 0K	-117.815488
Energy at 298.15K
HF Energy	-117.815488
Nuclear repulsion energy	74.804577

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'	3047	3051	0.00	296.99	0.03	0.07
2	A₁'	1448	1451	0.00	5.41	0.73	0.84
3	A₁'	1176	1178	0.00	31.75	0.10	0.17
4	A₁"	1103	1104	0.00	0.00	0.75	0.86
5	A₂'	1030	1032	0.00	0.00	0.75	0.86
6	A₂"	3140	3145	38.84	0.00	0.75	0.86
7	A₂"	833	834	0.72	0.00	0.75	0.86
8	E'	3039	3044	28.16	25.04	0.75	0.86
8	E'	3039	3044	28.15	25.04	0.75	0.86
9	E'	1401	1403	0.18	10.04	0.75	0.86
9	E'	1401	1403	0.18	10.04	0.75	0.86
10	E'	1005	1007	6.47	0.01	0.75	0.86
10	E'	1005	1007	6.47	0.01	0.75	0.86
11	E'	849	851	13.73	13.48	0.75	0.86
11	E'	849	851	13.73	13.48	0.75	0.86
12	E"	3119	3124	0.00	116.26	0.75	0.86
12	E"	3119	3124	0.00	116.25	0.75	0.86
13	E"	1162	1163	0.00	9.83	0.75	0.86
13	E"	1162	1163	0.00	9.83	0.75	0.86
14	E"	707	709	0.00	2.33	0.75	0.86
14	E"	707	709	0.00	2.33	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.880	0.000
C2	0.762	-0.440	0.000
C3	-0.762	-0.440	0.000
H4	0.000	1.477	0.924
H5	1.279	-0.738	0.924
H6	-1.279	-0.738	0.924
H7	0.000	1.477	-0.924
H8	1.279	-0.738	-0.924
H9	-1.279	-0.738	-0.924

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5234	1.5234	1.0998	2.2596	2.2596	1.0998	2.2596	2.2596
C2	1.5234		1.5234	2.2596	1.0998	2.2596	2.2596	1.0998	2.2596
C3	1.5234	1.5234		2.2596	2.2596	1.0998	2.2596	2.2596	1.0998
H4	1.0998	2.2596	2.2596		2.5575	2.5575	1.8474	3.1549	3.1549
H5	2.2596	1.0998	2.2596	2.5575		2.5575	3.1549	1.8474	3.1549
H6	2.2596	2.2596	1.0998	2.5575	2.5575		3.1549	3.1549	1.8474
H7	1.0998	2.2596	2.2596	1.8474	3.1549	3.1549		2.5575	2.5575
H8	2.2596	1.0998	2.2596	3.1549	1.8474	3.1549	2.5575		2.5575
H9	2.2596	2.2596	1.0998	3.1549	3.1549	1.8474	2.5575	2.5575

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.040
C1	C2	H8	118.040	C1	C3	C2	60.000
C1	C3	H6	118.040	C1	C3	H9	118.040
C2	C1	C3	60.000	C2	C1	H4	118.040
C2	C1	H7	118.040	C2	C3	H6	118.040
C2	C3	H9	118.040	C3	C1	H4	118.040
C3	C1	H7	118.040	C3	C2	H5	118.040
C3	C2	H8	118.040	H4	C1	H7	114.249
H5	C2	H8	114.249	H6	C3	H9	114.249

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: BLYP/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	-0.013
2	C	-0.013
3	C	-0.013
4	H	0.007
5	H	0.007
6	H	0.007
7	H	0.007
8	H	0.007
9	H	0.007

<r²>	44.658
(<r²>)^1/2	6.683

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: BLYP/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)