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	hartrees
Energy at 0K	-117.098990
Energy at 298.15K
HF Energy	-117.098990
Nuclear repulsion energy	76.327125

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'	3273	2974	0.00	283.84	0.03	0.06
2	A₁'	1650	1500	0.00	3.54	0.03	0.05
3	A₁'	1282	1165	0.00	49.05	0.06	0.12
4	A₁"	1253	1139	0.00	0.00	0.00	0.00
5	A₂'	1213	1102	0.00	0.00	0.00	0.00
6	A₂"	3357	3050	47.91	0.00	0.00	0.00
7	A₂"	914	830	0.20	0.00	0.00	0.00
8	E'	3260	2962	32.28	22.33	0.75	0.86
8	E'	3260	2962	32.28	22.33	0.75	0.86
9	E'	1593	1447	0.61	3.99	0.75	0.86
9	E'	1593	1447	0.61	3.99	0.75	0.86
10	E'	1169	1062	5.09	1.96	0.75	0.86
10	E'	1169	1062	5.09	1.96	0.75	0.86
11	E'	941	855	26.13	10.31	0.75	0.86
11	E'	941	855	26.13	10.31	0.75	0.86
12	E"	3333	3028	0.00	93.58	0.75	0.86
12	E"	3333	3028	0.00	93.58	0.75	0.86
13	E"	1313	1193	0.00	1.60	0.75	0.86
13	E"	1313	1193	0.00	1.60	0.75	0.86
14	E"	794	722	0.00	0.48	0.75	0.86
14	E"	794	722	0.00	0.48	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	0.901
H5	1.253	-0.724	0.901
H6	-1.253	-0.724	0.901
H7	0.000	1.447	-0.901
H8	1.253	-0.724	-0.901
H9	-1.253	-0.724	-0.901

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4962	1.4962	1.0735	2.2143	2.2143	1.0735	2.2143	2.2143
C2	1.4962		1.4962	2.2143	1.0735	2.2143	2.2143	1.0735	2.2143
C3	1.4962	1.4962		2.2143	2.2143	1.0735	2.2143	2.2143	1.0735
H4	1.0735	2.2143	2.2143		2.5068	2.5068	1.8021	3.0873	3.0873
H5	2.2143	1.0735	2.2143	2.5068		2.5068	3.0873	1.8021	3.0873
H6	2.2143	2.2143	1.0735	2.5068	2.5068		3.0873	3.0873	1.8021
H7	1.0735	2.2143	2.2143	1.8021	3.0873	3.0873		2.5068	2.5068
H8	2.2143	1.0735	2.2143	3.0873	1.8021	3.0873	2.5068		2.5068
H9	2.2143	2.2143	1.0735	3.0873	3.0873	1.8021	2.5068	2.5068

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.081
C1	C2	H8	118.081	C1	C3	C2	60.000
C1	C3	H6	118.081	C1	C3	H9	118.081
C2	C1	C3	60.000	C2	C1	H4	118.081
C2	C1	H7	118.081	C2	C3	H6	118.081
C2	C3	H9	118.081	C3	C1	H4	118.081
C3	C1	H7	118.081	C3	C2	H5	118.081
C3	C2	H8	118.081	H4	C1	H7	114.150
H5	C2	H8	114.150	H6	C3	H9	114.150

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: HF/6-311+G(3df,2p)

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	-0.241
2	C	-0.241
3	C	-0.241
4	H	0.121
5	H	0.121
6	H	0.121
7	H	0.121
8	H	0.121
9	H	0.121

<r²>	43.374
(<r²>)^1/2	6.586

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)