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	hartrees
Energy at 0K	-117.088500
Energy at 298.15K
HF Energy	-117.088500
Nuclear repulsion energy	76.178150

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'	3276	2976	0.00	265.21	0.04	0.08
2	A₁'	1652	1500	0.00	2.46	0.37	0.54
3	A₁'	1287	1169	0.00	38.23	0.08	0.15
4	A₁"	1251	1137	0.00	0.00	0.00	0.00
5	A₂'	1204	1094	0.00	0.00	0.00	0.00
6	A₂"	3362	3054	58.07	0.00	0.04	0.09
7	A₂"	914	831	0.10	0.00	0.00	0.00
8	E'	3261	2963	34.47	21.71	0.75	0.86
8	E'	3261	2963	34.47	21.71	0.75	0.86
9	E'	1588	1443	1.10	5.84	0.75	0.86
9	E'	1588	1443	1.10	5.84	0.75	0.86
10	E'	1167	1060	5.07	1.23	0.75	0.86
10	E'	1167	1060	5.07	1.23	0.75	0.86
11	E'	945	859	28.03	16.01	0.75	0.86
11	E'	945	859	28.03	16.01	0.75	0.86
12	E"	3338	3033	0.00	103.26	0.75	0.86
12	E"	3338	3033	0.00	103.26	0.75	0.86
13	E"	1312	1192	0.00	5.01	0.75	0.86
13	E"	1312	1192	0.00	5.01	0.75	0.86
14	E"	797	724	0.00	1.30	0.75	0.86
14	E"	797	724	0.00	1.30	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.866	0.000
C2	0.750	-0.433	0.000
C3	-0.750	-0.433	0.000
H4	0.000	1.449	0.903
H5	1.255	-0.725	0.903
H6	-1.255	-0.725	0.903
H7	0.000	1.449	-0.903
H8	1.255	-0.725	-0.903
H9	-1.255	-0.725	-0.903

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4992	1.4992	1.0757	2.2182	2.2182	1.0757	2.2182	2.2182
C2	1.4992		1.4992	2.2182	1.0757	2.2182	2.2182	1.0757	2.2182
C3	1.4992	1.4992		2.2182	2.2182	1.0757	2.2182	2.2182	1.0757
H4	1.0757	2.2182	2.2182		2.5104	2.5104	1.8069	3.0931	3.0931
H5	2.2182	1.0757	2.2182	2.5104		2.5104	3.0931	1.8069	3.0931
H6	2.2182	2.2182	1.0757	2.5104	2.5104		3.0931	3.0931	1.8069
H7	1.0757	2.2182	2.2182	1.8069	3.0931	3.0931		2.5104	2.5104
H8	2.2182	1.0757	2.2182	3.0931	1.8069	3.0931	2.5104		2.5104
H9	2.2182	2.2182	1.0757	3.0931	3.0931	1.8069	2.5104	2.5104

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.038
C1	C2	H8	118.038	C1	C3	C2	60.000
C1	C3	H6	118.038	C1	C3	H9	118.038
C2	C1	C3	60.000	C2	C1	H4	118.038
C2	C1	H7	118.038	C2	C3	H6	118.038
C2	C3	H9	118.038	C3	C1	H4	118.038
C3	C1	H7	118.038	C3	C2	H5	118.038
C3	C2	H8	118.038	H4	C1	H7	114.255
H5	C2	H8	114.255	H6	C3	H9	114.255

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: HF/6-311G**

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	-0.222
2	C	-0.222
3	C	-0.222
4	H	0.111
5	H	0.111
6	H	0.111
7	H	0.111
8	H	0.111
9	H	0.111

<r²>	43.475
(<r²>)^1/2	6.594

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: HF/6-311G**

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)